BDBM50114406 CHEMBL3609811

SMILES: COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1c[nH]c(c1)-c1cccc(c1)C(O)=O

InChI Key: InChIKey=WXKPQTLBHPIBEA-WYMPLXKRSA-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 = 50114406   

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
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50114406 (CHEMBL3609811) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1c[nH]c(c1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H21N3O6/c1-29-18-9-16(10-19(30-2)20(18)31-3)21(26)25-24-12-13-7-17(23-11-13)14-5-4-6-15(8-14)22(27)28/h4-12,23H,1-3H3,(H,25,26)(H,27,28)/b24-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair