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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 = 50000918   
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))
BDBM50000918
PNG
(7-(4-Hydroxy-butoxy)-1,3-dihydro-imidazo[4,5-b]qui...)
Show SMILES OCCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C14H15N3O3/c18-5-1-2-6-20-10-3-4-11-9(7-10)8-12-13(15-11)17-14(19)16-12/h3-4,7-8,18H,1-2,5-6H2,(H2,15,16,17,19)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 55n/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))
BDBM50000918
PNG
(7-(4-Hydroxy-butoxy)-1,3-dihydro-imidazo[4,5-b]qui...)
Show SMILES OCCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C14H15N3O3/c18-5-1-2-6-20-10-3-4-11-9(7-10)8-12-13(15-11)17-14(19)16-12/h3-4,7-8,18H,1-2,5-6H2,(H2,15,16,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 90n/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