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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 = 'BDBM50106998'   
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))		BDBM50106998
PNG
(4-(3-Phenyl-propyl)-1-[4-phenyl-1-(thiophene-2-sul...)
Show SMILES OC1(CCCc2ccccc2)CCN(CC2CN(C[C@@H]2c2ccccc2)S(=O)(=O)c2cccs2)CC1
Show InChI InChI=1S/C29H36N2O3S2/c32-29(15-7-11-24-9-3-1-4-10-24)16-18-30(19-17-29)21-26-22-31(36(33,34)28-14-8-20-35-28)23-27(26)25-12-5-2-6-13-25/h1-6,8-10,12-14,20,26-27,32H,7,11,15-19,21-23H2/t26?,27-/m1/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]-MIP-1 alpha to C-C chemokine receptor type 5 in Chinese hamster ovary (CHO) cell membranes

Bioorg Med Chem Lett 11: 3137-41 (2001)


BindingDB Entry DOI: 10.7270/Q2XW4J4W
More data for this
Ligand-Target Pair