BDBM50339607 1-Hydroxy-6-phenyl-4-trifluoromethyl-1H-indole-2-carboxylic Acid::CHEMBL1688790::LDHA Inhibitor, 4

SMILES: OC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F

InChI Key: InChIKey=KGXDBNBXAPVUIM-UHFFFAOYSA-N

Data: 2 KI  1 IC50  1 Kd

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 4 hits for monomerid = 50339607   

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))	BDBM50339607 (1-Hydroxy-6-phenyl-4-trifluoromethyl-1H-indole-2-c...) Show SMILES OC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H10F3NO3/c17-16(18,19)12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14(15(21)22)20(13)23/h1-8,23H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Pisa Curated by ChEMBL					Assay Description Competitive inhibition of human LDH-A using pyruvate as substrate after 5 mins by calorimetric assay relative to control				J Med Chem 54: 1599-612 (2011) Article DOI: 10.1021/jm101007q BindingDB Entry DOI: 10.7270/Q2J38SVC
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50339607 (1-Hydroxy-6-phenyl-4-trifluoromethyl-1H-indole-2-c...) Show SMILES OC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H10F3NO3/c17-16(18,19)12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14(15(21)22)20(13)23/h1-8,23H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Pisa Curated by ChEMBL					Assay Description Competitive inhibition of human LDH-A using NADH as substrate after 5 mins by calorimetric assay relative to control				J Med Chem 54: 1599-612 (2011) Article DOI: 10.1021/jm101007q BindingDB Entry DOI: 10.7270/Q2J38SVC
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50339607 (1-Hydroxy-6-phenyl-4-trifluoromethyl-1H-indole-2-c...) Show SMILES OC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H10F3NO3/c17-16(18,19)12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14(15(21)22)20(13)23/h1-8,23H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50339607 (1-Hydroxy-6-phenyl-4-trifluoromethyl-1H-indole-2-c...) Show SMILES OC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H10F3NO3/c17-16(18,19)12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14(15(21)22)20(13)23/h1-8,23H,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	7.5	21
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