BDBM50445212 CHEMBL3104625

SMILES: FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCN(CC3)C(=O)OCc3ccccc3)c3ccccc23)cc1

InChI Key: InChIKey=GPTSTWODEIAOAF-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50445212   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50445212 (CHEMBL3104625) Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCN(CC3)C(=O)OCc3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C34H31F3N4O4/c35-34(36,37)45-26-16-14-25(15-17-26)38-31(42)39-28-11-5-7-13-30(28)41-23-33(27-10-4-6-12-29(27)41)18-20-40(21-19-33)32(43)44-22-24-8-2-1-3-9-24/h1-17H,18-23H2,(H2,38,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50445212 (CHEMBL3104625) Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCN(CC3)C(=O)OCc3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C34H31F3N4O4/c35-34(36,37)45-26-16-14-25(15-17-26)38-31(42)39-28-11-5-7-13-30(28)41-23-33(27-10-4-6-12-29(27)41)18-20-40(21-19-33)32(43)44-22-24-8-2-1-3-9-24/h1-17H,18-23H2,(H2,38,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50445212 (CHEMBL3104625) Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CC3(CCN(CC3)C(=O)OCc3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C34H31F3N4O4/c35-34(36,37)45-26-16-14-25(15-17-26)38-31(42)39-28-11-5-7-13-30(28)41-23-33(27-10-4-6-12-29(27)41)18-20-40(21-19-33)32(43)44-22-24-8-2-1-3-9-24/h1-17H,18-23H2,(H2,38,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 2.5 uM ADP-induced platelet aggregation preincubated for 1 min fol...				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
					More data for this Ligand-Target Pair