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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50096534'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50096534
PNG
(1'-[3-(3,4-dichlorophenyl)-4-[1H-5-indolyl(methyl)...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C31H33Cl2N3O3S2/c1-35(41(38,39)25-7-9-29-23(18-25)10-14-34-29)20-24(22-6-8-27(32)28(33)19-22)11-15-36-16-12-31(13-17-36)21-40(37)30-5-3-2-4-26(30)31/h2-10,14,18-19,24,34H,11-13,15-17,20-21H2,1H3/t24-,40?/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human CCR5 receptor in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as radioligand

Bioorg Med Chem Lett 11: 259-64 (2001)


BindingDB Entry DOI: 10.7270/Q29Z945C
More data for this
Ligand-Target Pair