BDBM86126 LDHA Inhibitor, 22

SMILES: Cc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1

InChI Key: InChIKey=OVXHZNUBLPBIEB-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

PDB links: 3 PDB IDs match this monomer.

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 2 hits for monomerid = 86126   

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
L-lactate dehydrogenase A (Rattus norvegicus (Rat))	BDBM86126 (LDHA Inhibitor, 22) Show SMILES Cc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1 Show InChI InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.5	21
AstraZeneca					Assay Description Enzyme assay using lactate dehydrogenase A (LDHA).				J Med Chem 55: 3285-306 (2012) Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896
					More data for this Ligand-Target Pair				3D Structure (crystal)
L-lactate dehydrogenase A (Rattus norvegicus (Rat))	BDBM86126 (LDHA Inhibitor, 22) Show SMILES Cc1nc2ccc(NC(=O)CCNC(N)=O)cc2s1 Show InChI InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	7.70E+5	n/a	n/a	n/a	7.4	n/a
AstraZeneca					Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format.				J Med Chem 55: 3285-306 (2012) Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896
					More data for this Ligand-Target Pair				3D Structure (crystal)