BDBM50100314 CHEMBL3326903

SMILES: CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)Nc2cc(C)ccc2OCCCC(O)=O)cc1

InChI Key: InChIKey=UGZSBJYXIDPTIF-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 = 50100314   

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)	BDBM50100314 (CHEMBL3326903) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)Nc2cc(C)ccc2OCCCC(O)=O)cc1 Show InChI InChI=1S/C26H30N4O5/c1-4-6-23(31)21-16-27-30(18(21)3)20-11-9-19(10-12-20)28-26(34)29-22-15-17(2)8-13-24(22)35-14-5-7-25(32)33/h8-13,15-16H,4-7,14H2,1-3H3,(H,32,33)(H2,28,29,34)	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))	BDBM50100314 (CHEMBL3326903) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)Nc2cc(C)ccc2OCCCC(O)=O)cc1 Show InChI InChI=1S/C26H30N4O5/c1-4-6-23(31)21-16-27-30(18(21)3)20-11-9-19(10-12-20)28-26(34)29-22-15-17(2)8-13-24(22)35-14-5-7-25(32)33/h8-13,15-16H,4-7,14H2,1-3H3,(H,32,33)(H2,28,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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))	BDBM50100314 (CHEMBL3326903) Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)Nc2cc(C)ccc2OCCCC(O)=O)cc1 Show InChI InChI=1S/C26H30N4O5/c1-4-6-23(31)21-16-27-30(18(21)3)20-11-9-19(10-12-20)28-26(34)29-22-15-17(2)8-13-24(22)35-14-5-7-25(32)33/h8-13,15-16H,4-7,14H2,1-3H3,(H,32,33)(H2,28,29,34)	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