BDBM50307671 (4S)4-({[4-(4-Aminopiperidin-1-yl)6-phenylpyridin-2-yl]carbonyl}amino)5-{4-[(hexyloxy)carbonyl]piperazin-1-yl}-5-oxopentanoic Acid::CHEMBL590208

SMILES: CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(N)CC1

InChI Key: InChIKey=VDLIOACOELNCLM-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 = 50307671   

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))	BDBM50307671 ((4S)4-({[4-(4-Aminopiperidin-1-yl)6-phenylpyridin-...) Show SMILES CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(N)CC1 |r| Show InChI InChI=1S/C33H46N6O6/c1-2-3-4-8-21-45-33(44)39-19-17-38(18-20-39)32(43)27(11-12-30(40)41)36-31(42)29-23-26(37-15-13-25(34)14-16-37)22-28(35-29)24-9-6-5-7-10-24/h5-7,9-10,22-23,25,27H,2-4,8,11-21,34H2,1H3,(H,36,42)(H,40,41)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	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