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

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 38871   

TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataIC50:  357nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataIC50:  284nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCathepsin S(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataIC50: >5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataIC50:  260nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataIC50:  202nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetReverse transcriptase(Human immunodeficiency virus 1)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataIC50: >4.16E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataEC50: <160nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-like protein 11(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOrf1a protein(MERS-CoV)
University of Bonn

LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataEC50:  14nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
University of Bonn

LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataEC50:  51nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM38871((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Affinity DataIC50: >5.00E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay