BDBM50307666 (4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-({[4-({[methyl-(tetrahydrofuran-3-yl)mino]carbonyl}oxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoic Acid::CHEMBL592883

SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C2CCOC2)cc(n1)-c1ccccc1

InChI Key: InChIKey=PBZOXXWHZOXBJU-YNMFNDETSA-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 = 50307666   

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))	BDBM50307666 ((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-({[4-({...) Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C2CCOC2)cc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C32H41N5O9/c1-3-4-17-45-32(43)37-15-13-36(14-16-37)30(41)25(10-11-28(38)39)34-29(40)27-20-24(19-26(33-27)22-8-6-5-7-9-22)46-31(42)35(2)23-12-18-44-21-23/h5-9,19-20,23,25H,3-4,10-18,21H2,1-2H3,(H,34,40)(H,38,39)/t23?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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