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BDBM50141967 (2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-3-fluoro-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL176669

SMILES: CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1F

InChI Key: InChIKey=HBHXAVXLZKWCKM-PBFQYQTBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141967   
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))		BDBM50141967
PNG
((2R,4R)-2-[(2S,3S)-3-{4-[5-(4-Ethoxy-3-fluoro-benz...)
Show SMILES CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@H](C)CC)C(O)=O)CC3)n(CC)n2)cc1F
Show InChI InChI=1S/C36H48F2N4O3/c1-5-24(4)35(36(43)44)41-22-28(31(23-41)27-9-8-10-29(37)19-27)21-40-15-13-26(14-16-40)33-20-30(39-42(33)6-2)17-25-11-12-34(45-7-3)32(38)18-25/h8-12,18-20,24,26,28,31,35H,5-7,13-17,21-23H2,1-4H3,(H,43,44)/t24-,28+,31-,35-/m1/s1
PDB

KEGG

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UniProtKB/TrEMBL

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Similars
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell

Bioorg Med Chem Lett 14: 947-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.006
BindingDB Entry DOI: 10.7270/Q2F18Z5V
More data for this
Ligand-Target Pair