Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50364748'
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50364748(CHEMBL1952100)
Show SMILES CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(Cl)cc(Cl)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H43Cl2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1
Affinity DataIC50: 0.100nMAssay Description:Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair