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BDBM50088316 CHEMBL62454::Tributyl-{4-[3-(4'-methyl-biphenyl-3-yl)-acryloylamino]-benzyl}-phosphonium; chloride

SMILES: CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)\C=C\c2cccc(c2)-c2ccc(C)cc2)cc1

InChI Key: InChIKey=JONICLMPWCXBSY-PTGBLXJZSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50088316   
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))		BDBM50088316
PNG
(CHEMBL62454 | Tributyl-{4-[3-(4'-methyl-biphenyl-3...)
Show SMILES CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)\C=C\c2cccc(c2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C35H46NOP/c1-5-8-24-38(25-9-6-2,26-10-7-3)28-31-16-21-34(22-17-31)36-35(37)23-18-30-12-11-13-33(27-30)32-19-14-29(4)15-20-32/h11-23,27H,5-10,24-26,28H2,1-4H3/p+1/b23-18+
PDB

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n/an/a 620n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair