BDBM50045633 CHEMBL3314318::US9540323, 163::US9540323, example 163

SMILES: CC1(C)CN(c2c1c(c(F)cc2O)-c1cnc(Cl)cn1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=VYUFMSAVMLCEQU-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50045633   

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))	BDBM50045633 (CHEMBL3314318 | US9540323, 163 | US9540323, exampl...) Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1cnc(Cl)cn1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H22ClF4N5O3/c1-27(2)14-38(25-21(39)11-17(30)23(24(25)27)19-12-35-22(29)13-34-19)20-6-4-3-5-18(20)37-26(40)36-15-7-9-16(10-8-15)41-28(31,32)33/h3-13,39H,14H2,1-2H3,(H2,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	43	-10.0	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))	BDBM50045633 (CHEMBL3314318 | US9540323, 163 | US9540323, exampl...) Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1cnc(Cl)cn1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H22ClF4N5O3/c1-27(2)14-38(25-21(39)11-17(30)23(24(25)27)19-12-35-22(29)13-34-19)20-6-4-3-5-18(20)37-26(40)36-15-7-9-16(10-8-15)41-28(31,32)33/h3-13,39H,14H2,1-2H3,(H2,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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