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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM50429547'   
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
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50429547
PNG
(CHEMBL2333760)
Show SMILES CC(C)(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1
Show InChI InChI=1S/C22H21F2N3O2/c1-22(2,3)14-6-4-7-16(12-14)29-20-19(8-5-11-25-20)27-21(28)26-18-10-9-15(23)13-17(18)24/h4-13H,1-3H3,(H2,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

33n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50429547
PNG
(CHEMBL2333760)
Show SMILES CC(C)(C)c1cccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)c1
Show InChI InChI=1S/C22H21F2N3O2/c1-22(2,3)14-6-4-7-16(12-14)29-20-19(8-5-11-25-20)27-21(28)26-18-10-9-15(23)13-17(18)24/h4-13H,1-3H3,(H2,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...


J Med Chem 56: 1704-14 (2013)


Article DOI: 10.1021/jm301708u
BindingDB Entry DOI: 10.7270/Q2ST7R6G
More data for this
Ligand-Target Pair