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BDBM50160469 1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{(S)-1-[2-(2-fluoro-phenyl)-ethyl]-piperidin-3-ylmethyl}-urea::CHEMBL369331

SMILES: CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccccc3F)C2)cc(c1)-c1nnnn1C

InChI Key: InChIKey=MPAIXZGUERRIQY-IBGZPJMESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160469   
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))
BDBM50160469
PNG
(1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3...)
Show SMILES CCc1cc(NC(=O)NC[C@@H]2CCCN(CCc3ccccc3F)C2)cc(c1)-c1nnnn1C
Show InChI InChI=1S/C25H32FN7O/c1-3-18-13-21(24-29-30-31-32(24)2)15-22(14-18)28-25(34)27-16-19-7-6-11-33(17-19)12-10-20-8-4-5-9-23(20)26/h4-5,8-9,13-15,19H,3,6-7,10-12,16-17H2,1-2H3,(H2,27,28,34)/t19-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



dBristol-Myers Squibb

Curated by ChEMBL


Assay Description
Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells


Bioorg Med Chem Lett 15: 787-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.006
BindingDB Entry DOI: 10.7270/Q2H41QXT
More data for this
Ligand-Target Pair