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BDBM50173391 CHEMBL370826::N-{1-[3-(4-Acetylamino-phenyl)-3-(3-fluoro-phenyl)-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide

SMILES: CCN(C1CCN(CCC(c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=DZYPRLBOUVHBFD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50173391   
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))		BDBM50173391
PNG
(CHEMBL370826 | N-{1-[3-(4-Acetylamino-phenyl)-3-(3...)
Show SMILES CCN(C1CCN(CCC(c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C33H40FN3O4S/c1-4-37(33(39)22-25-8-14-31(15-9-25)42(3,40)41)30-16-19-36(20-17-30)21-18-32(27-6-5-7-28(34)23-27)26-10-12-29(13-11-26)35-24(2)38/h5-15,23,30,32H,4,16-22H2,1-3H3,(H,35,38)
PDB

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Similars
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair