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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 = 'BDBM50106992'   
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))		BDBM50106992
PNG
(4-(3-Phenyl-propyl)-1-[(3S,4S)-4-phenyl-1-(thiophe...)
Show SMILES O=S(=O)(N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@H](C1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C29H36N2O2S2/c32-35(33,29-15-8-20-34-29)31-22-27(28(23-31)26-13-5-2-6-14-26)21-30-18-16-25(17-19-30)12-7-11-24-9-3-1-4-10-24/h1-6,8-10,13-15,20,25,27-28H,7,11-12,16-19,21-23H2/t27-,28+/m0/s1
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PC cid
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Similars
PubMed
n/an/a 25n/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