BDBM50057293 CHEMBL3322612

SMILES: CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC(C)C)nc(n1)-c1ccccc1

InChI Key: InChIKey=WVTQYXIBYUPPRG-IBGZPJMESA-N

Data: 1 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 1 hit for monomerid = 50057293   

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))	BDBM50057293 (CHEMBL3322612) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC(C)C)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C26H34N6O6/c1-4-38-26(37)32-14-12-31(13-15-32)25(36)19(10-11-22(33)34)29-24(35)20-16-21(27-17(2)3)30-23(28-20)18-8-6-5-7-9-18/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,29,35)(H,33,34)(H,27,28,30)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...				Bioorg Med Chem Lett 24: 4323-31 (2014) Article DOI: 10.1016/j.bmcl.2014.06.070 BindingDB Entry DOI: 10.7270/Q28C9XW4
					More data for this Ligand-Target Pair