Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50337217'
TargetC-X-C chemokine receptor type 3(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50337217(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)pi...)
Show SMILES Fc1ccc(CNC(=O)c2cnc(N3CCN(CC3)C3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)c2)cc1F
Show InChI InChI=1S/C29H31Cl2F2N5O/c30-23-4-1-20(2-5-23)19-36-9-7-24(8-10-36)37-11-13-38(14-12-37)28-25(31)16-22(18-34-28)29(39)35-17-21-3-6-26(32)27(33)15-21/h1-6,15-16,18,24H,7-14,17,19H2,(H,35,39)
Affinity DataIC50: 40nMAssay Description:Antagonist activity at human CXCR3More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Mus musculus)
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50337217(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)pi...)
Show SMILES Fc1ccc(CNC(=O)c2cnc(N3CCN(CC3)C3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)c2)cc1F
Show InChI InChI=1S/C29H31Cl2F2N5O/c30-23-4-1-20(2-5-23)19-36-9-7-24(8-10-36)37-11-13-38(14-12-37)28-25(31)16-22(18-34-28)29(39)35-17-21-3-6-26(32)27(33)15-21/h1-6,15-16,18,24H,7-14,17,19H2,(H,35,39)
Affinity DataIC50: 84nMAssay Description:Antagonist activity at mouse CXCR3More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 3(Rattus norvegicus)
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50337217(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)pi...)
Show SMILES Fc1ccc(CNC(=O)c2cnc(N3CCN(CC3)C3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)c2)cc1F
Show InChI InChI=1S/C29H31Cl2F2N5O/c30-23-4-1-20(2-5-23)19-36-9-7-24(8-10-36)37-11-13-38(14-12-37)28-25(31)16-22(18-34-28)29(39)35-17-21-3-6-26(32)27(33)15-21/h1-6,15-16,18,24H,7-14,17,19H2,(H,35,39)
Affinity DataIC50: 97nMAssay Description:Antagonist activity at rat CXCR3More data for this Ligand-Target Pair