BDBM86125 LDHA Inhibitor, 21

SMILES: COc1ccc(CC(C(O)=O)C(O)=O)cc1OC

InChI Key: InChIKey=NQKOQSKMBSAXTD-UHFFFAOYSA-N

Data: 1 IC50  2 Kd

PDB links: 2 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 3 hits for monomerid = 86125   

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))	BDBM86125 (LDHA Inhibitor, 21) Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1OC Show InChI InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	2.80E+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)
L-lactate dehydrogenase A (Rattus norvegicus (Rat))	BDBM86125 (LDHA Inhibitor, 21) Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1OC Show InChI InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	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))	BDBM86125 (LDHA Inhibitor, 21) Show SMILES COc1ccc(CC(C(O)=O)C(O)=O)cc1OC Show InChI InChI=1S/C12H14O6/c1-17-9-4-3-7(6-10(9)18-2)5-8(11(13)14)12(15)16/h3-4,6,8H,5H2,1-2H3,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	1.00E+6	n/a	n/a	n/a	7.5	n/a
AstraZeneca					Assay Description NMR spectra were acquired on Bruker Avance 600 MHz spectrometers at 298 K using a 5 mm triple-resonance HCN cryoprobe. Ligand binding was detected u...				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)