BDBM50307672 (4S)-4-[({4-[4-(Dimethylamino)butyl]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid::CHEMBL591227

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

InChI Key: InChIKey=BXYWVTRIIHJFGU-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 = 50307672   

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))	BDBM50307672 ((4S)-4-[({4-[4-(Dimethylamino)butyl]-6-phenylpyrid...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCCN(C)C)cc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H47N5O6/c1-4-5-11-22-44-33(43)38-20-18-37(19-21-38)32(42)27(15-16-30(39)40)35-31(41)29-24-25(12-9-10-17-36(2)3)23-28(34-29)26-13-7-6-8-14-26/h6-8,13-14,23-24,27H,4-5,9-12,15-22H2,1-3H3,(H,35,41)(H,39,40)/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