BDBM50462537 CHEMBL4244798

SMILES: CC(C)NC(=O)N1CCN(CC1)c1cccc2[nH]ccc12

InChI Key: InChIKey=WAESSOGPYPHBEH-UHFFFAOYSA-N

Data: 1 IC50

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 = 50462537   

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
Aspartate aminotransferase, cytoplasmic (Homo sapiens)	BDBM50462537 (CHEMBL4244798) Show SMILES CC(C)NC(=O)N1CCN(CC1)c1cccc2[nH]ccc12 Show InChI InChI=1S/C16H22N4O/c1-12(2)18-16(21)20-10-8-19(9-11-20)15-5-3-4-14-13(15)6-7-17-14/h3-7,12,17H,8-11H2,1-2H3,(H,18,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
California Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as substrate after 20 mins by MDH1 enzyme-coupled fluorescence assay				Bioorg Med Chem Lett 28: 2675-2678 (2018) Article DOI: 10.1016/j.bmcl.2018.04.061 BindingDB Entry DOI: 10.7270/Q2MC92P6
					More data for this Ligand-Target Pair