BDBM30709 ERGOCORNINE::MLS000069342::SMR000058938::cid_73453

SMILES [H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C

InChI Key InChIKey=UJYGDMFEEDNVBF-OGGGUQDZSA-N

Data  10 KI  4 IC50  1 EC50

  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 15 hits for monomerid = 30709   

TargetD(2) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataKi:  0.700nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataKi:  14nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataKi:  36nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-dependent translocase ABCB1(Mus musculus)
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataKi:  1.91E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataKi:  2.45E+4nMAssay Description:TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataKi:  1.05E+5nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
St. Jude Children'S Research Hospital

Curated by ChEMBL
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataKi:  2.72E+5nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataIC50: >5.96E+4nMAssay 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
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataIC50: >1.00E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataIC50: >1.00E+5nMpH: 7.0 T: 2°CAssay Description:The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataEC50:  18.0nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlycoprotein 42(Human herpesvirus 4 type 2)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM30709(ERGOCORNINE | MLS000069342 | SMR000058938 | cid_73...)
Affinity DataIC50:  5.64E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay