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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y12' and Monomerid = 50000915   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000915
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C23H30N4O3/c1-27(17-8-4-2-3-5-9-17)21(28)10-6-7-13-30-18-11-12-19-16(14-18)15-20-22(24-19)26-23(29)25-20/h11-12,14-15,17H,2-10,13H2,1H3,(H2,24,25,26,29)
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PC sid
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Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000915
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C23H30N4O3/c1-27(17-8-4-2-3-5-9-17)21(28)10-6-7-13-30-18-11-12-19-16(14-18)15-20-22(24-19)26-23(29)25-20/h11-12,14-15,17H,2-10,13H2,1H3,(H2,24,25,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair