BDBM50307706 (4S)4-[({4-[4-(Hydroxymethyl)piperidin-1-yl]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid::CHEMBL589554

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

InChI Key: InChIKey=DHPUDFFYGVXJKK-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 = 50307706   

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))	BDBM50307706 ((4S)4-[({4-[4-(Hydroxymethyl)piperidin-1-yl]-6-phe...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CO)CC1 |r| Show InChI InChI=1S/C33H45N5O7/c1-2-3-7-20-45-33(44)38-18-16-37(17-19-38)32(43)27(10-11-30(40)41)35-31(42)29-22-26(36-14-12-24(23-39)13-15-36)21-28(34-29)25-8-5-4-6-9-25/h4-6,8-9,21-22,24,27,39H,2-3,7,10-20,23H2,1H3,(H,35,42)(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	2.40	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