BDBM50031638 2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-carboxylic acid::CHEMBL310405

SMILES: CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12

InChI Key: InChIKey=OLCFWQNMCDUEMF-UHFFFAOYSA-N

Data: 5 KI  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 6 hits for monomerid = 50031638   

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))	BDBM50031638 (2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(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	2.00E+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))	BDBM50031638 (2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(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	3.00E+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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50031638 (2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(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	3.00E+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))	BDBM50031638 (2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(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	9.10E+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
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50031638 (2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(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	9.20E+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
Serum albumin (Homo sapiens (Human))	BDBM50031638 (2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...) Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	5.28E+3	n/a	n/a	n/a	n/a	n/a
University of New Mexico School of Medicine Curated by ChEMBL					Assay Description Compound was tested for binding activity to human serum albumin (HSA)				J Med Chem 38: 2427-32 (1995) BindingDB Entry DOI: 10.7270/Q2833R28
					More data for this Ligand-Target Pair