BDBM50307559 (4S)4-{[(4-{[(3-Aminopropoxy)carbonyl]amino}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic acid::CHEMBL578507

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCCCN)cc(n1)-c1ccccc1

InChI Key: InChIKey=ORRNLORMNOHOMN-MHZLTWQESA-N

Data: 1 KI

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 = 50307559   

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))	BDBM50307559 ((4S)4-{[(4-{[(3-Aminopropoxy)carbonyl]amino}-6-phe...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCCCN)cc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C35H50N6O8/c1-5-6-10-21-48-34(46)41-19-17-40(18-20-41)32(44)27(14-15-30(42)49-35(2,3)4)39-31(43)29-24-26(37-33(45)47-22-11-16-36)23-28(38-29)25-12-8-7-9-13-25/h7-9,12-13,23-24,27H,5-6,10-11,14-22,36H2,1-4H3,(H,39,43)(H,37,38,45)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells				J Med Chem 53: 2010-37 (2010) Article DOI: 10.1021/jm901518t BindingDB Entry DOI: 10.7270/Q2HH6K50
					More data for this Ligand-Target Pair