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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 = 'BDBM50096563'   
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))		BDBM50096563
PNG
(CHEMBL89715 | N-[2-(3-Fluoro-phenyl)-4-(4-phenyl-p...)
Show SMILES CN(CC(CCN1CCC(CC1)c1ccccc1)c1cccc(F)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H33FN2O2S/c1-30(34(32,33)28-13-6-3-7-14-28)22-26(25-11-8-12-27(29)21-25)17-20-31-18-15-24(16-19-31)23-9-4-2-5-10-23/h2-14,21,24,26H,15-20,22H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor.

Bioorg Med Chem Lett 11: 265-70 (2001)


BindingDB Entry DOI: 10.7270/Q2668CFZ
More data for this
Ligand-Target Pair