BDBM50057291 CHEMBL3322613

SMILES: CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(Nc2ccccc2)nc(n1)-c1ccccc1

InChI Key: InChIKey=ZBAYFWMDLXADHX-QFIPXVFZSA-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 = 50057291   

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))	BDBM50057291 (CHEMBL3322613) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(Nc2ccccc2)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C29H32N6O6/c1-2-41-29(40)35-17-15-34(16-18-35)28(39)22(13-14-25(36)37)32-27(38)23-19-24(30-21-11-7-4-8-12-21)33-26(31-23)20-9-5-3-6-10-20/h3-12,19,22H,2,13-18H2,1H3,(H,32,38)(H,36,37)(H,30,31,33)/t22-/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	177	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