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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 = 'BDBM50096526'   
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))		BDBM50096526
PNG
(1'-[3-(3,4-dichlorophenyl)-4-methyl(3-thienyl)sulf...)
Show SMILES CN(C[C@@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccsc1
Show InChI InChI=1S/C27H30Cl2N2O3S3/c1-30(37(33,34)22-9-15-35-18-22)17-21(20-6-7-24(28)25(29)16-20)8-12-31-13-10-27(11-14-31)19-36(32)26-5-3-2-4-23(26)27/h2-7,9,15-16,18,21H,8,10-14,17,19H2,1H3/t21-,36?/m1/s1
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Similars
PubMed
n/an/a>4.00E+3n/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 at a concentration of 4000 ...

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


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