BDBM50103570 CHEMBL3335796

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

InChI Key: InChIKey=YPPFWRWCZNXINO-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50103570   

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))	BDBM50103570 (CHEMBL3335796) Show SMILES COC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C17H12F3NO3/c1-24-16(22)15-9-12-13(17(18,19)20)7-11(8-14(12)21(15)23)10-5-3-2-4-6-10/h2-9,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of LDHA (unknown origin)				Bioorg Med Chem Lett 24: 4915-25 (2014) BindingDB Entry DOI: 10.7270/Q25Q4XV9
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50103570 (CHEMBL3335796) Show SMILES COC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C17H12F3NO3/c1-24-16(22)15-9-12-13(17(18,19)20)7-11(8-14(12)21(15)23)10-5-3-2-4-6-10/h2-9,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of LDHA (unknown origin) by pyruvate competition assay				Bioorg Med Chem Lett 24: 4915-25 (2014) BindingDB Entry DOI: 10.7270/Q25Q4XV9
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50103570 (CHEMBL3335796) Show SMILES COC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C17H12F3NO3/c1-24-16(22)15-9-12-13(17(18,19)20)7-11(8-14(12)21(15)23)10-5-3-2-4-6-10/h2-9,23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of LDHA (unknown origin) by NADH competition assay				Bioorg Med Chem Lett 24: 4915-25 (2014) BindingDB Entry DOI: 10.7270/Q25Q4XV9
					More data for this Ligand-Target Pair