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SMILES: CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)(CCS(=O)(=O)c1ccccc1)c1ccccc1

InChI Key: InChIKey=IOWSGHOCXOCOON-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50148682   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50148682
PNG
(Allyl-[1-(5-benzenesulfonyl-3-methyl-3-phenyl-pent...)
Show SMILES CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)(CCS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H41N3O6S/c1-3-22-36(33(38)43-27-28-14-16-31(17-15-28)37(39)40)30-18-23-35(24-19-30)25-20-34(2,29-10-6-4-7-11-29)21-26-44(41,42)32-12-8-5-9-13-32/h3-17,30H,1,18-27H2,2H3
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Article
PubMed
n/an/a 4.40E+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