BDBM50045620 CHEMBL3314300::US9540323, 196::US9540323, example 196

SMILES: CC1(C)CN(c2c1c(ccc2O)-c1ccc(cc1)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=DEJGZLRNAUQRJJ-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 = 50045620   

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))	BDBM50045620 (CHEMBL3314300 | US9540323, 196 | US9540323, exampl...) Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(cc1)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C31H25F6N3O3/c1-29(2)17-40(27-25(41)16-15-22(26(27)29)18-7-9-19(10-8-18)30(32,33)34)24-6-4-3-5-23(24)39-28(42)38-20-11-13-21(14-12-20)43-31(35,36)37/h3-16,41H,17H2,1-2H3,(H2,38,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	8	-11.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q289141P
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50045620 (CHEMBL3314300 | US9540323, 196 | US9540323, exampl...) Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(cc1)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C31H25F6N3O3/c1-29(2)17-40(27-25(41)16-15-22(26(27)29)18-7-9-19(10-8-18)30(32,33)34)24-6-4-3-5-23(24)39-28(42)38-20-11-13-21(14-12-20)43-31(35,36)37/h3-16,41H,17H2,1-2H3,(H2,38,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 10 uM ADP-induced platelet aggregation preincubated for 1 min foll...				J Med Chem 57: 6150-64 (2014) Article DOI: 10.1021/jm5006226 BindingDB Entry DOI: 10.7270/Q20Z74XP
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50045620 (CHEMBL3314300 | US9540323, 196 | US9540323, exampl...) Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(cc1)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C31H25F6N3O3/c1-29(2)17-40(27-25(41)16-15-22(26(27)29)18-7-9-19(10-8-18)30(32,33)34)24-6-4-3-5-23(24)39-28(42)38-20-11-13-21(14-12-20)43-31(35,36)37/h3-16,41H,17H2,1-2H3,(H2,38,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research 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 57: 6150-64 (2014) Article DOI: 10.1021/jm5006226 BindingDB Entry DOI: 10.7270/Q20Z74XP
					More data for this Ligand-Target Pair