BDBM50066977 2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carboxylic acid::CHEMBL127327

SMILES: CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12

InChI Key: InChIKey=HJMYCPSZGDHIRL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50066977   

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 chain (Homo sapiens (Human))	BDBM50066977 (2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...) Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-CRO Curated by ChEMBL					Assay Description Competitive inhibition of human LDH5 in presence of NADH				J Med Chem 59: 487-96 (2016) BindingDB Entry DOI: 10.7270/Q2B27X41
					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50066977 (2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...) Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)	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	1.00E+3	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 A (LDHA) (Homo sapiens (Human))	BDBM50066977 (2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...) Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)	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	6.00E+3	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))	BDBM50066977 (2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...) Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)	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	4.90E+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
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50066977 (2,3-Dihydroxy-6-methyl-4-propyl-naphthalene-1-carb...) Show SMILES CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-3-4-10-11-7-8(2)5-6-9(11)12(15(18)19)14(17)13(10)16/h5-7,16-17H,3-4H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-CRO Curated by ChEMBL					Assay Description Competitive inhibition of human LDH1 in presence of NADH				J Med Chem 59: 487-96 (2016) BindingDB Entry DOI: 10.7270/Q2B27X41
					More data for this Ligand-Target Pair