BDBM50100196 CHEMBL3325802

SMILES: CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(Cl)cc23)cc1

InChI Key: InChIKey=UFBGGGOMAUFVAW-UHFFFAOYSA-N

Data: 3 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 = 50100196   

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))	BDBM50100196 (CHEMBL3325802) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C31H35ClN6O4/c1-3-4-29(40)26-18-33-38(21(26)2)24-8-6-23(7-9-24)34-31(42)27-19-37(28-10-5-22(32)17-25(27)28)20-30(41)36-13-11-35(12-14-36)15-16-39/h5-10,17-19,39H,3-4,11-16,20H2,1-2H3,(H,34,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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
Purinergic receptor P2Y12 (Rattus norvegicus)	BDBM50100196 (CHEMBL3325802) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C31H35ClN6O4/c1-3-4-29(40)26-18-33-38(21(26)2)24-8-6-23(7-9-24)34-31(42)27-19-37(28-10-5-22(32)17-25(27)28)20-30(41)36-13-11-35(12-14-36)15-16-39/h5-10,17-19,39H,3-4,11-16,20H2,1-2H3,(H,34,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50100196 (CHEMBL3325802) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C31H35ClN6O4/c1-3-4-29(40)26-18-33-38(21(26)2)24-8-6-23(7-9-24)34-31(42)27-19-37(28-10-5-22(32)17-25(27)28)20-30(41)36-13-11-35(12-14-36)15-16-39/h5-10,17-19,39H,3-4,11-16,20H2,1-2H3,(H,34,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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 human 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