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BDBM50141963 (2R,4S)-2-[(2S,3S)-3-{4-[5-(3-Cyano-4-methoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-methyl-pentanoic acid::CHEMBL175079

SMILES: CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(c3)C#N)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O

InChI Key: InChIKey=JLQAWCSYGCHXFR-XWHDRLKKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141963   
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))		BDBM50141963
PNG
((2R,4S)-2-[(2S,3S)-3-{4-[5-(3-Cyano-4-methoxy-benz...)
Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccc(OC)c(c3)C#N)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C36H46FN5O3/c1-5-24(3)35(36(43)44)41-22-29(32(23-41)27-8-7-9-30(37)18-27)21-40-14-12-26(13-15-40)33-19-31(39-42(33)6-2)17-25-10-11-34(45-4)28(16-25)20-38/h7-11,16,18-19,24,26,29,32,35H,5-6,12-15,17,21-23H2,1-4H3,(H,43,44)/t24-,29-,32+,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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Similars
Article
PubMed
n/an/a 0.5n/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