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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 = 50000889   
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))
BDBM50000889
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES OC(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C15H15N3O4/c19-13(20)3-1-2-6-22-10-4-5-11-9(7-10)8-12-14(16-11)18-15(21)17-12/h4-5,7-8H,1-3,6H2,(H,19,20)(H2,16,17,18,21)
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PC sid
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Article
PubMed
n/an/an/an/a>1.06E+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 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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000889
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES OC(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C15H15N3O4/c19-13(20)3-1-2-6-22-10-4-5-11-9(7-10)8-12-14(16-11)18-15(21)17-12/h4-5,7-8H,1-3,6H2,(H,19,20)(H2,16,17,18,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.06E+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