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BDBM50141955 (R)-2-[(2S,3S)-3-{4-[5-(4-Cyclopropoxy-benzyl)-2-ethyl-2H-pyrazol-3-yl]-piperidin-1-ylmethyl}-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3,3-dimethyl-butyric acid::CHEMBL366873

SMILES: CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1

InChI Key: InChIKey=BQQDYTWNFPNXMT-IDLKRKCPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141955   
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))		BDBM50141955
PNG
((R)-2-[(2S,3S)-3-{4-[5-(4-Cyclopropoxy-benzyl)-2-e...)
Show SMILES CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
Show InChI InChI=1S/C37H49FN4O3/c1-5-42-34(21-30(39-42)19-25-9-11-31(12-10-25)45-32-13-14-32)26-15-17-40(18-16-26)22-28-23-41(35(36(43)44)37(2,3)4)24-33(28)27-7-6-8-29(38)20-27/h6-12,20-21,26,28,32-33,35H,5,13-19,22-24H2,1-4H3,(H,43,44)/t28-,33+,35-/m0/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