BDBM50057287 CHEMBL3322639

SMILES: CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@@H](O)C1

InChI Key: InChIKey=MESSLZABXZJSOJ-UXHICEINSA-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 = 50057287   

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))	BDBM50057287 (CHEMBL3322639) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C27H34N6O7/c1-2-40-27(39)32-14-12-31(13-15-32)26(38)20(8-9-23(35)36)29-25(37)21-16-22(33-11-10-19(34)17-33)30-24(28-21)18-6-4-3-5-7-18/h3-7,16,19-20,34H,2,8-15,17H2,1H3,(H,29,37)(H,35,36)/t19-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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
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