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C-X-C chemokine receptor type 4 Inhibitors (IC50, Ki)

Structure
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Compound Name
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Standard Type
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Standard Values (in nM)
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PlerixaforIC506.0 [1], 18.0 [2], 27.4 [3], 6200.0 [4]
PlerixaforKi63000.0 [1]
CID 57345320IC506.25 [1]
Cyclo(-D-Tyr-Arg-Arg-Nal-Gly-)IC504.0 [1], 8.4 [2], 1200.0 [3]
1-(4-Methylbenzyl)-1,4,8,11-tetraazacyclotetradecaneKi107000.0 [1]
CID 11718722IC500.87 [1], 1.07 [2], 3.36 [3], 6.6 [4], 26.64 [5]
2-Pyridinemethanamine, N-((4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl)methyl)-IC5012.4 [1]
2-Pyridinemethanamine, N-((4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl)methyl)-Ki215000.0 [1], 519000.0 [2], 600000.0 [3]
N'-(1H-Benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamineIC5011.0 [1], 13.0 [2], 22.0 [3], 36.0 [4]
(4R,7S,10S,13S,16S)-16-[[(2S)-2-[[(2S)-2-Acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-7,10-dibenzyl-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acidIC5040.0 [1], 53.0 [2], 64.0 [3], 338.0 [4]
(S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamineIC505.0 [1], 13.0 [2], 30.0 [3]
2-[3-[(2R,5S,8S,14R)-5-[3-(Diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidineIC502.0 [1], 37.0 [2], 63.0 [3]
(4R,7S,10S,13S,16R)-16-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-7,10-dibenzyl-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acidIC5053.0 [1], 5200.0 [2], 6200.0 [3]
Isothiourea-1aIC5011.0 [1], 48.0 [2], 58.0 [3]
N-(Pyridin-2-ylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamineIC501.0 [1], 89.5 [2], 120.0 [3]
N-[[4-[(Pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amineIC500.3 [1], 1.8 [2]
1-Butyl-3-(2-methylpropyl)-9-[(4-phenoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochlorideIC5010000.0 [1]
(6,6-Dimethyl-5,6-Dihydroimidazo[2,1-B][1,3]thiazol-3-Yl)methyl N,N'-DicyclohexylimidothiocarbamateIC501.1 [1], 8.0 [2]
2-[3-[(2R,5S,8S,14R)-5-[3-(Diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidineIC504.3 [1], 8.0 [2]
(1H-Benzimidazol-2-ylmethyl)-(2-Aminomethyl-benzyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amineIC5028.0 [1], 50.0 [2]
3-[[(1-Cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]phenolIC5092.0 [1]
1,4,9-Triazaspiro[5.5]undecane-2,5-dione, 1-butyl-3-(cyclohexylmethyl)-9-[(4-phenoxyphenyl)methyl]-IC5010000.0 [1]
2-[3-[(3S,6S,9S,12R,15S)-6-[3-(Diaminomethylideneamino)propyl]-12-[(4-hydroxyphenyl)methyl]-7-methyl-3-(naphthalen-2-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-9-yl]propyl]guanidineIC5030000.0 [1]
(E)-N'-[[(3R)-1,2,3,4-Tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamineIC50129.0 [1], 130.0 [2]
(Z)-N'-[[(3R)-1,2,3,4-Tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamineIC509.26 [1], 10.0 [2]
1-Butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochlorideIC506700.0 [1], 10000.0 [2]
1-Butyl-3-(cyclohexylmethyl)-9-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochlorideIC5010000.0 [1]
1,4,9-Triazaspiro[5.5]undecane-2,5-dione, 1-butyl-3-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-IC5030000.0 [1]
Rac-9-Benzyl-1-butyl-3-isobutyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochlorideIC5010000.0 [1], 30000.0 [2]
1-Butyl-3-(cyclohexylmethyl)-9-[(4-prop-2-enoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dioneIC5010000.0 [1]
Rac-3-Isobutyl-9-(4-phenoxybenzyl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochlorideIC5030000.0 [1]
1-Butyl-9-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dioneIC5010000.0 [1]
(9S)-9-(Cyclohexylmethyl)-3-(6-phenylhexyl)-11-propyl-3,8,11-triazaspiro[5.5]undecane-7,10-dioneIC5010000.0 [1]
(9R)-9-(Cyclohexylmethyl)-3-(6-phenylhexyl)-11-propyl-3,8,11-triazaspiro[5.5]undecane-7,10-dioneIC5010000.0 [1]
(4R,7S,10S,13S,16S)-16-[[(2S)-2-[[(2S)-2-Acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-13-[3-(diaminomethylideneamino)propyl]-7-(1H-imidazol-5-ylmethyl)-3,3-dimethyl-10-(naphthalen-2-ylmethyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acidIC506.0 [1], 20.0 [2]
4-N-[[(3R)-1,2,3,4-Tetrahydroisoquinolin-3-yl]methyl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]cyclohexane-1,4-diamineIC5034.0 [1], 1800.0 [2]
(8R)-N-Methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amineIC5068.0 [1], 1300.0 [2]
N-Methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrochlorideIC502.3 [1], 54.0 [2]
(8S)-N-Methyl-N-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amineIC500.73 [1], 88.0 [2]
2-Benzyl-1,3-dicyclohexyl-isothioureaIC5010000.0 [1]
5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclopentylcarbamimidothioateIC50493.0 [1], 3835.0 [2]
1,3-Dicycloheptyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothioureaIC503.1 [1], 25.0 [2]
1-Cycloheptyl-3-cyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothioureaIC506.6 [1], 28.0 [2]
1-Cyclohexyl-3-cyclopentyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothioureaIC50173.0 [1], 372.0 [2]
5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-(1-adamantyl)-N'-cyclohexylcarbamimidothioateIC50304.0 [1], 1873.0 [2]
5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(2-adamantyl)-N-cyclohexylcarbamimidothioateIC5013.0 [1], 81.0 [2]
5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-cyclohexyl-N-phenylcarbamimidothioateIC505275.0 [1], 10000.0 [2]
[1,3]Thiazolo[3,2-a]benzimidazol-1-ylmethyl N,N'-dicyclohexylcarbamimidothioateIC508120.0 [1], 10000.0 [2]
1,3-Dicycloheptyl-2-((6,6-dimethyl-5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothioureaIC502.1 [1], 8.8 [2]
1,3-Dicyclooctyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothioureaIC505.3 [1], 27.0 [2]
1-Cyclohexyl-3-cyclooctyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothioureaIC508.0 [1], 28.0 [2]
5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioateIC5075.0 [1], 855.0 [2]
5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-(4-tert-butylcyclohexyl)-N-cyclohexylcarbamimidothioateIC50437.0 [1], 1533.0 [2]
1,3-Dicyclohexyl-2-(((E)-3-methyl-2-(methylimino)-2,3-dihydrothiazol-4-yl)methyl)isothioureaIC509130.0 [1], 10000.0 [2]
6,7-Dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-ylmethyl N,N'-dicyclohexylcarbamimidothioateIC5057.0 [1], 185.0 [2]
5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclohexyl-N-methylcarbamimidothioateIC50931.0 [1], 3575.0 [2]
(2S)-2-[[(4R,10R,13S,16S,19R,22S,25R,28S,31R)-19,22-Bis(4-aminobutyl)-31-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-7-[3-(carbamoylamino)propyl]-10,25-bis[3-(diaminomethylideneamino)propyl]-13,28-bis[(4-hydroxyphenyl)methyl]-16-methyl-6,9,12,15,21,24,27,30-octaoxo-1,2-dithia-5,8,11,14,20,23,26,29-octazacyclodotriacont-17-ene-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acidIC506900.0 [1], 7300.0 [2]
(4R,10R,13S,16S,19R,22S,25R,28S,31R)-19,22-Bis(4-aminobutyl)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-31-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-7-[3-(carbamoylamino)propyl]-10,25-bis[3-(diaminomethylideneamino)propyl]-13,28-bis[(4-hydroxyphenyl)methyl]-16-methyl-6,9,12,15,21,24,27,30-octaoxo-1,2-dithia-5,8,11,14,20,23,26,29-octazacyclodotriacont-17-ene-4-carboxamideIC505000.0 [1], 10000.0 [2]
(2S)-2-[[(4R,10R,13S,16S,19R,22S,25R,28S,31R)-19,22-Bis(4-aminobutyl)-31-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-7-[3-(carbamoylamino)propyl]-10,25-bis[3-(diaminomethylideneamino)propyl]-13,28-bis[(4-hydroxyphenyl)methyl]-16-methyl-6,9,12,15,21,24,27,30-octaoxo-1,2-dithia-5,8,11,14,20,23,26,29-octazacyclodotriacont-17-ene-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acidIC5027000.0 [1], 30000.0 [2]
2,3,5,6-Tetrahydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N'-benzyl-N-cyclohexylcarbamimidothioateIC502220.0 [1], 10000.0 [2]
4-[[4-(4-Benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridineIC501200.0 [1], 10000.0 [2]
CID 57345321IC50190.0 [1], 2920.0 [2]
N'-[[(3R)-2-(Pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamineIC5056.0 [1], 60.0 [2]
N'-[[(3R)-2-(Pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamineIC5070.0 [1], 350.0 [2]
N'-[[(3R)-2-(Pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamineIC5060.0 [1], 660.0 [2]
N'-[[(3R)-2-(1,3-Oxazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamineIC5040.0 [1], 490.0 [2]
2-[(3R)-3-[[4-Aminobutyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-morpholin-4-ylethanoneIC5080.0 [1], 570.0 [2]
CID 72546065IC5020.0 [1], 39.0 [2]
N'-[[(3R)-2-Propan-2-yl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamineIC5020.0 [1], 140.0 [2]
CID 72546294IC508.0 [1], 30.0 [2]
N-Propan-2-yl-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamineIC507.0 [1], 40.0 [2]
CID 76309931IC50180.0 [1], 420.0 [2]
CID 76331766IC503.0 [1], 210.0 [2]
CID 76335355IC504.0 [1], 290.0 [2]
2-[1-[[(4-Aminocyclohexyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]-1-morpholin-4-ylethanoneIC501260.0 [1], 2150.0 [2]
N-[[9-(2-Morpholin-4-ylethyl)pyrido[3,4-b]indol-1-yl]methyl]-N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amineIC509.3 [1], 24.0 [2]
2-[1-[[4-Aminobutyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]-N-piperidin-4-ylacetamideIC5012.0 [1], 126.0 [2]
2-[1-[[3-Piperazin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanolIC5012.0 [1], 56.0 [2]
Unii-1TW3FT746IIC500.6 [1]
N-[(2S)-5-(Diaminomethylideneamino)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzamideIC5013.0 [1]
2-Methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]-1,3,4-oxadiazoleIC503800.0 [1]
CID 46861584IC5010000.0 [1]
1-(4-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-oneKi53.0 [1]
N-((1-(3-Aminopropyl)-1H-benzo[d]imidazol-2-yl)methyl)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amineIC5047.0 [1]
Rac-N1-(pyridin-2-ylmethyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamineIC5074.0 [1]
1-(2-Methylbenzyl)-1H-naphtho[2,3-d]triazole-4,9-dioneIC5010000.0 [1]
2-[3-[(2S,5S,8S,14R)-5-[3-(Diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidineIC50290.0 [1]
N-[(2S)-5-(Diaminomethylideneamino)-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-2-yl]-4-[[[4-(trifluoromethyl)benzoyl]amino]methyl]benzamideIC501000.0 [1]
KRH-3955 free baseIC500.61 [1]
Benzyl N-ethyl-N-[1-[4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylbutyl]piperidin-4-yl]carbamateIC501000.0 [1]
1-Phenyl-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]methanamineKi128000.0 [1]
Benzyl N-[1-[4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamateIC501000.0 [1]
Benzyl N-[1-[4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamateIC501000.0 [1]
2-[3-[(2R,5S,8S,11S,12E)-8-[3-(Diaminomethylideneamino)propyl]-2-[(4-hydroxyphenyl)methyl]-11-(naphthalen-2-ylmethyl)-3,6,9,15-tetraoxo-1,4,7,10-tetrazacyclopentadec-12-en-5-yl]propyl]guanidineIC50180.0 [1]
(4S,7S,10S,13R)-13-[3-(Diaminomethylideneamino)propanoylamino]-10-[3-(diaminomethylideneamino)propyl]-N-[2-(4-hydroxyphenyl)ethyl]-7-(naphthalen-2-ylmethyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxamideIC50530.0 [1]
2-[3-[(2S,5S,11R,14R)-11-[(4-Hydroxyphenyl)methyl]-14-methyl-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidineIC5063.0 [1]
2-[3-[(2S,5S,11R,14S)-11-[(4-Hydroxyphenyl)methyl]-14-methyl-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidineIC50230.0 [1]
2-[3-[(3R,9S,12S,15S,17R)-17-(Diaminomethylideneamino)-3-[(4-hydroxyphenyl)methyl]-9-(naphthalen-2-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-12-yl]propyl]guanidineIC5010.0 [1]
2-[3-[(3R,9S,12S,15S,17S)-17-(Diaminomethylideneamino)-3-[(4-hydroxyphenyl)methyl]-9-(naphthalen-2-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-12-yl]propyl]guanidineIC509.9 [1]
1-N,1-N-Diethyl-4-N-[7-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamineIC502160.0 [1]
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References

This online tool may be cited as follows

MLA

"Quest Database™ C-X-C chemokine receptor type 4 Inhibitors (IC50, Ki)." AAT Bioquest, Inc., 20 Nov. 2024, https://www.aatbio.com/data-sets/c-x-c-chemokine-receptor-type-4-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2024, November 20). Quest Database™ C-X-C chemokine receptor type 4 Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/c-x-c-chemokine-receptor-type-4-inhibitors-ic50-ki.
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