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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 = 'BDBM50410168'   
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))		BDBM50410168
PNG
(CHEMBL2113086)
Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc3ccccn23)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C30H37FN4O2/c31-25-8-4-7-23(16-25)26-20-34(27(30(36)37)15-21-5-3-6-21)19-24(26)18-33-13-10-22(11-14-33)28-17-32-29-9-1-2-12-35(28)29/h1-2,4,7-9,12,16-17,21-22,24,26-27H,3,5-6,10-11,13-15,18-20H2,(H,36,37)/t24-,26+,27+/m0/s1
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Similars
Article
PubMed
n/an/a 0.420n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed on CHO cell membranes

Bioorg Med Chem Lett 15: 2129-34 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.030
BindingDB Entry DOI: 10.7270/Q21C1WD7
More data for this
Ligand-Target Pair