BDBM50045628 CHEMBL3314308::US9540323, 202::US9540323, example 202

SMILES: CC(C)(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1

InChI Key: InChIKey=WNPYNZDVDUMJBN-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 = 50045628   

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))	BDBM50045628 (CHEMBL3314308 | US9540323, 202 | US9540323, exampl...) Show SMILES CC(C)(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C38H43FN4O2/c1-37(2,3)23-42-22-8-11-31(42)26-14-18-28(19-15-26)40-36(45)41-30-9-6-7-10-32(30)43-24-38(4,5)34-29(20-21-33(44)35(34)43)25-12-16-27(39)17-13-25/h6-7,9-10,12-21,31,44H,8,11,22-24H2,1-5H3,(H2,40,41,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	5.70	-11.2	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))	BDBM50045628 (CHEMBL3314308 | US9540323, 202 | US9540323, exampl...) Show SMILES CC(C)(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C38H43FN4O2/c1-37(2,3)23-42-22-8-11-31(42)26-14-18-28(19-15-26)40-36(45)41-30-9-6-7-10-32(30)43-24-38(4,5)34-29(20-21-33(44)35(34)43)25-12-16-27(39)17-13-25/h6-7,9-10,12-21,31,44H,8,11,22-24H2,1-5H3,(H2,40,41,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	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))	BDBM50045628 (CHEMBL3314308 | US9540323, 202 | US9540323, exampl...) Show SMILES CC(C)(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C38H43FN4O2/c1-37(2,3)23-42-22-8-11-31(42)26-14-18-28(19-15-26)40-36(45)41-30-9-6-7-10-32(30)43-24-38(4,5)34-29(20-21-33(44)35(34)43)25-12-16-27(39)17-13-25/h6-7,9-10,12-21,31,44H,8,11,22-24H2,1-5H3,(H2,40,41,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	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