BDBM50100271 CHEMBL3326904

SMILES: CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)n2cc(CCCC(O)=O)c3ccc(C)cc23)cc1

InChI Key: InChIKey=CNEUIUYUJUBTAI-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 = 50100271   

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 (Rattus norvegicus)	BDBM50100271 (CHEMBL3326904) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)n2cc(CCCC(O)=O)c3ccc(C)cc23)cc1 Show InChI InChI=1S/C28H30N4O4/c1-4-6-26(33)24-16-29-32(19(24)3)22-12-10-21(11-13-22)30-28(36)31-17-20(7-5-8-27(34)35)23-14-9-18(2)15-25(23)31/h9-17H,4-8H2,1-3H3,(H,30,36)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	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))	BDBM50100271 (CHEMBL3326904) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)n2cc(CCCC(O)=O)c3ccc(C)cc23)cc1 Show InChI InChI=1S/C28H30N4O4/c1-4-6-26(33)24-16-29-32(19(24)3)22-12-10-21(11-13-22)30-28(36)31-17-20(7-5-8-27(34)35)23-14-9-18(2)15-25(23)31/h9-17H,4-8H2,1-3H3,(H,30,36)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	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 (Homo sapiens (Human))	BDBM50100271 (CHEMBL3326904) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)n2cc(CCCC(O)=O)c3ccc(C)cc23)cc1 Show InChI InChI=1S/C28H30N4O4/c1-4-6-26(33)24-16-29-32(19(24)3)22-12-10-21(11-13-22)30-28(36)31-17-20(7-5-8-27(34)35)23-14-9-18(2)15-25(23)31/h9-17H,4-8H2,1-3H3,(H,30,36)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	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