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

InChI Key: InChIKey=WNEBUYXXZNYOIF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50148685   
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))		BDBM50148685
PNG
(Allyl-{1-[3-phenyl-5-(propane-2-sulfonyl)-hexyl]-p...)
Show SMILES CC(C)S(=O)(=O)C(C)CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C31H43N3O6S/c1-5-18-33(31(35)40-23-26-11-13-30(14-12-26)34(36)37)29-16-20-32(21-17-29)19-15-28(27-9-7-6-8-10-27)22-25(4)41(38,39)24(2)3/h5-14,24-25,28-29H,1,15-23H2,2-4H3
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.50E+4n/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