BDBM50307705 (4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(2-methoxyethyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoicAcid::CHEMBL604288

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

InChI Key: InChIKey=WKLOXXYNSRILFT-QHCPKHFHSA-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 = 50307705   

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))	BDBM50307705 ((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(NCCOC)cc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C29H39N5O7/c1-3-4-17-41-29(39)34-15-13-33(14-16-34)28(38)23(10-11-26(35)36)32-27(37)25-20-22(30-12-18-40-2)19-24(31-25)21-8-6-5-7-9-21/h5-9,19-20,23H,3-4,10-18H2,1-2H3,(H,30,31)(H,32,37)(H,35,36)/t23-/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