BindingDB PrimarySearch

BDBM50135527 (-)-cis-rotenone::(-)-rotenone::(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one::5'beta-rotenone::Barbasco::CHEMBL429023::Canex::Noxfire::[2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one::rotenone

SMILES: COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C

InChI Key: InChIKey=JUVIOZPCNVVQFO-HBGVWJBISA-N

Data: 11 IC50

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50135527
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mitochondrial complex I; NADH oxidoreductase (Bos taurus)	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.				Bioorg Med Chem Lett 13: 4101-5 (2003) BindingDB Entry DOI: 10.7270/Q2G44PQJ
Universidad de Valencia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitochondrial complex I (NADH dehydrogenase) (Homo sapiens (Human))	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of NADH dehydrogenase				Bioorg Med Chem Lett 2: 593-596 (1992) Article DOI: 10.1016/S0960-894X(01)81204-X BindingDB Entry DOI: 10.7270/Q2H70G9H
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Pancreatic lipase (Sus scrofa (Pig))	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Atomic Energy Research Institute Curated by ChEMBL					Assay Description Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenol				Bioorg Med Chem Lett 23: 1099-103 (2013) Article DOI: 10.1016/j.bmcl.2012.12.003 BindingDB Entry DOI: 10.7270/Q2P55PTG
Korea Atomic Energy Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH) (Plasmodium falciparum)	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
Harvard School of Public Health Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (Saccharomyces cerevisiae)	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard School of Public Health Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae DHOD				Bioorg Med Chem Lett 19: 972-5 (2009) Article DOI: 10.1016/j.bmcl.2008.11.071 BindingDB Entry DOI: 10.7270/Q2Z89DBX
Harvard School of Public Health Curated by ChEMBL					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase (Bos taurus (Bovine))	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Polit£cnica de Valencia Curated by ChEMBL					Assay Description Inhibition of Bos taurus (beef) heart NAD1				J Agric Food Chem 53: 8296-301 (2005) Article DOI: 10.1021/jf058075f BindingDB Entry DOI: 10.7270/Q2B85C1C
Universidad Polit£cnica de Valencia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Inhibition of HIV1 RT				J Nat Prod 54: 143-54 Article DOI: 10.1021/np50073a012 BindingDB Entry DOI: 10.7270/Q2NK3HTG
University of Illinois Curated by ChEMBL					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM50135527 ((-)-cis-rotenone \| (-)-rotenone \| (2R,6aS,12aS)-8,...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair