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SMILES: CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=SRDQWSXEJNWKHX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50435828   
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
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435828
PNG
(CHEMBL2390979)
Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-16-12-10-15(11-13-16)23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)
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Similars
Article
PubMed
 15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis

Bioorg Med Chem Lett 23: 3519-22 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.041
BindingDB Entry DOI: 10.7270/Q28S4RB4
More data for this
Ligand-Target Pair