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SMILES: CN(C[C@H](CCN1CCC(CC1)N(CC=C)C(=O)Cc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=CPNHQPNGFYHKNL-LJAQVGFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104241   
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))		BDBM50104241
PNG
(CHEMBL311248 | N-Allyl-N-{1-[(R)-4-(benzenesulfony...)
Show SMILES CN(C[C@H](CCN1CCC(CC1)N(CC=C)C(=O)Cc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C33H40N4O5S/c1-3-21-36(33(38)25-27-14-16-31(17-15-27)37(39)40)30-19-23-35(24-20-30)22-18-29(28-10-6-4-7-11-28)26-34(2)43(41,42)32-12-8-5-9-13-32/h3-17,29-30H,1,18-26H2,2H3/t29-/m0/s1
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KEGG

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PC cid
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Similars
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells

Bioorg Med Chem Lett 11: 2475-9 (2001)


BindingDB Entry DOI: 10.7270/Q2319V4F
More data for this
Ligand-Target Pair