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BDBM50231355 1-((1R,2S)-3-{adamantan-1-ylmethyl-[3-(4-fluoro-phenyl)-propyl]-amino}-2-hydroxy-1-methyl-propyl)-3-[3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea::CHEMBL398344

SMILES: CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC23CC4CC(CC(C4)C2)C3)cc(c1)-c1nnnn1C

InChI Key: InChIKey=YHXDUUWKFOEDMD-AJCADDFISA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231355   
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 3


(Homo sapiens (Human))
BDBM50231355
PNG
(1-((1R,2S)-3-{adamantan-1-ylmethyl-[3-(4-fluoro-ph...)
Show SMILES CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)CC23CC4CC(CC(C4)C2)C3)cc(c1)-c1nnnn1C |TLB:25:26:33:29.30.31,35:26:33:29.30.31,THB:35:30:27.26.34:33,31:30:27:34.32.33,31:32:27:29.35.30|
Show InChI InChI=1S/C35H48FN7O2/c1-4-24-15-29(33-39-40-41-42(33)3)17-31(16-24)38-34(45)37-23(2)32(44)21-43(11-5-6-25-7-9-30(36)10-8-25)22-35-18-26-12-27(19-35)14-28(13-26)20-35/h7-10,15-17,23,26-28,32,44H,4-6,11-14,18-22H2,1-3H3,(H2,37,38,45)/t23-,26?,27?,28?,32+,35?/m1/s1
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Article
PubMed
n/an/a 211n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I] eotaxin from human CCR3 receptor in CHO cells


Bioorg Med Chem Lett 18: 586-95 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.087
BindingDB Entry DOI: 10.7270/Q2FF3S4K
More data for this
Ligand-Target Pair