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BDBM50397156 CHEMBL2172129

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1

InChI Key: InChIKey=ZSTJSSFWPGSNAI-XCZPVHLTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50397156   
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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397156
PNG
(CHEMBL2172129)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H47N11O7/c1-2-3-21-52-35(51)44-19-17-43(18-20-44)34(50)26(14-15-29-38-41-42-39-29)37-32(48)27-22-31(46(40-27)25-11-5-4-6-12-25)53-23-30(47)45-16-8-13-28(45)33(49)36-24-9-7-10-24/h4-6,11-12,22,24,26,28H,2-3,7-10,13-21,23H2,1H3,(H,36,49)(H,37,48)(H,38,39,41,42)/t26-,28-/m0/s1
PDB

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PC cid
PC sid
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Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair