BDBM50066973 2,3-Dihydroxy-4-isopropyl-6-methyl-7-(4-trifluoromethyl-benzyl)-naphthalene-1-carboxylic acid::CHEMBL338262

SMILES: CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(cc3)C(F)(F)F)c(C)cc12

InChI Key: InChIKey=BOSZNBOLDRTAQJ-UHFFFAOYSA-N

Data: 3 KI

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 = 50066973   

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))	BDBM50066973 (2,3-Dihydroxy-4-isopropyl-6-methyl-7-(4-trifluorom...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(cc3)C(F)(F)F)c(C)cc12 Show InChI InChI=1S/C23H21F3O4/c1-11(2)18-16-8-12(3)14(9-13-4-6-15(7-5-13)23(24,25)26)10-17(16)19(22(29)30)21(28)20(18)27/h4-8,10-11,27-28H,9H2,1-3H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description inhibitory activity against P. falciparum lactate dehydrogenase (pLDH)				J Med Chem 41: 3879-87 (1998) Article DOI: 10.1021/jm980334n BindingDB Entry DOI: 10.7270/Q298864G
					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50066973 (2,3-Dihydroxy-4-isopropyl-6-methyl-7-(4-trifluorom...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(cc3)C(F)(F)F)c(C)cc12 Show InChI InChI=1S/C23H21F3O4/c1-11(2)18-16-8-12(3)14(9-13-4-6-15(7-5-13)23(24,25)26)10-17(16)19(22(29)30)21(28)20(18)27/h4-8,10-11,27-28H,9H2,1-3H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description inhibitory activity against Human Lactate Dehydrogenase (LDH-M)				J Med Chem 41: 3879-87 (1998) Article DOI: 10.1021/jm980334n BindingDB Entry DOI: 10.7270/Q298864G
					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50066973 (2,3-Dihydroxy-4-isopropyl-6-methyl-7-(4-trifluorom...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(cc3)C(F)(F)F)c(C)cc12 Show InChI InChI=1S/C23H21F3O4/c1-11(2)18-16-8-12(3)14(9-13-4-6-15(7-5-13)23(24,25)26)10-17(16)19(22(29)30)21(28)20(18)27/h4-8,10-11,27-28H,9H2,1-3H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description inhibitory activity against Human Lactate Dehydrogenase (LDH-H)				J Med Chem 41: 3879-87 (1998) Article DOI: 10.1021/jm980334n BindingDB Entry DOI: 10.7270/Q298864G
					More data for this Ligand-Target Pair