BDBM50462529 CHEMBL4239201

SMILES: O=C(Nc1cccc(Oc2ccccc2)c1)N1CCN(CC1)c1cccc2[nH]ccc12

InChI Key: InChIKey=WLVFAYCBIAGHBR-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 = 50462529   

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)	BDBM50462529 (CHEMBL4239201) Show SMILES O=C(Nc1cccc(Oc2ccccc2)c1)N1CCN(CC1)c1cccc2[nH]ccc12 Show InChI InChI=1S/C25H24N4O2/c30-25(27-19-6-4-9-21(18-19)31-20-7-2-1-3-8-20)29-16-14-28(15-17-29)24-11-5-10-23-22(24)12-13-26-23/h1-13,18,26H,14-17H2,(H,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	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