BDBM50321378 2-(3-(4-methoxyphenylthio)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid::CHEMBL1171125

SMILES: COc1ccc(SC2CCc3ccccc3N(CC(O)=O)C2=O)cc1

InChI Key: InChIKey=DKNGJBYTIKXWCZ-UHFFFAOYSA-N

Data: 1 EC50

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 = 50321378   

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
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50321378 (2-(3-(4-methoxyphenylthio)-2-oxo-2,3,4,5-tetrahydr...) Show SMILES COc1ccc(SC2CCc3ccccc3N(CC(O)=O)C2=O)cc1 Show InChI InChI=1S/C19H19NO4S/c1-24-14-7-9-15(10-8-14)25-17-11-6-13-4-2-3-5-16(13)20(19(17)23)12-18(21)22/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair