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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 = 'BDBM50148679'   
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))		BDBM50148679
PNG
(Allyl-[1-((3S,5R)-5-benzenesulfonyl-3-phenyl-hexyl...)
Show SMILES C[C@H](C[C@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C34H41N3O6S/c1-3-21-36(34(38)43-26-28-14-16-32(17-15-28)37(39)40)31-19-23-35(24-20-31)22-18-30(29-10-6-4-7-11-29)25-27(2)44(41,42)33-12-8-5-9-13-33/h3-17,27,30-31H,1,18-26H2,2H3/t27-,30+/m1/s1
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Similars
Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-MIP-1 alpha binding to C-C chemokine receptor type 5

Bioorg Med Chem Lett 14: 3589-93 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.112
BindingDB Entry DOI: 10.7270/Q20001KN
More data for this
Ligand-Target Pair