BDBM50055657 CHEMBL3325656

SMILES: CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CC4CN(C)CC4C3)c3ccc(C)cc23)cc1

InChI Key: InChIKey=IAAHTPOTCBOKRX-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50055657   

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 P2Y12 (Homo sapiens (Human))	BDBM50055657 (CHEMBL3325656) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CC4CN(C)CC4C3)c3ccc(C)cc23)cc1 Show InChI InChI=1S/C33H38N6O3/c1-5-6-31(40)28-14-34-39(22(28)3)26-10-8-25(9-11-26)35-33(42)29-19-37(30-12-7-21(2)13-27(29)30)20-32(41)38-17-23-15-36(4)16-24(23)18-38/h7-14,19,23-24H,5-6,15-18,20H2,1-4H3,(H,35,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis				J Med Chem 57: 7293-316 (2014) Article DOI: 10.1021/jm500588w BindingDB Entry DOI: 10.7270/Q2D79D21
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Rattus norvegicus)	BDBM50055657 (CHEMBL3325656) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CC4CN(C)CC4C3)c3ccc(C)cc23)cc1 Show InChI InChI=1S/C33H38N6O3/c1-5-6-31(40)28-14-34-39(22(28)3)26-10-8-25(9-11-26)35-33(42)29-19-37(30-12-7-21(2)13-27(29)30)20-32(41)38-17-23-15-36(4)16-24(23)18-38/h7-14,19,23-24H,5-6,15-18,20H2,1-4H3,(H,35,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation				J Med Chem 57: 7293-316 (2014) Article DOI: 10.1021/jm500588w BindingDB Entry DOI: 10.7270/Q2D79D21
					More data for this Ligand-Target Pair