BindingDB PrimarySearch

BDBM38871 (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride::EMETINE HYDROCHLORIDE::MLS000028478::SMR000058444::cid_6603320::med.21724, Compound Emetine

SMILES: CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12

InChI Key: InChIKey=AUVVAXYIELKVAI-CKBKHPSWSA-N

Data: 7 IC50 4 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 38871
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
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PR7TCX
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V69H02
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26Q1VNZ
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2319T8T
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.16E+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
Hsf1 protein (Mus musculus)	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	<160	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Bcl-2-like protein 11 (Homo sapiens (Human))	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
3C-like proteinase (MERS-CoV)	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
University of Bonn					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2WH2NDV
PCMD Curated by PubChem BioAssay					More data for this Ligand-Target Pair