BDBM50855 ALPHA-ERGOCRYPTINE::MLS000069839::SMR000058703::cid_6852403

SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C

InChI Key InChIKey=YDOTUXAWKBPQJW-ISVRSENOSA-N

Data  6 KI  1 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 8 hits for monomerid = 50855   

TargetD(2) dopamine receptor(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50855(ALPHA-ERGOCRYPTINE | MLS000069839 | SMR000058703 |...)
Affinity DataKi:  1.30nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50855(ALPHA-ERGOCRYPTINE | MLS000069839 | SMR000058703 |...)
In DepthDetails PubMed
LigandPNGBDBM50855(ALPHA-ERGOCRYPTINE | MLS000069839 | SMR000058703 |...)
In DepthDetails ArticlePubMed
LigandPNGBDBM50855(ALPHA-ERGOCRYPTINE | MLS000069839 | SMR000058703 |...)
In DepthDetails PubMed
LigandPNGBDBM50855(ALPHA-ERGOCRYPTINE | MLS000069839 | SMR000058703 |...)
Affinity DataKi:  9.5nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50855(ALPHA-ERGOCRYPTINE | MLS000069839 | SMR000058703 |...)
Affinity DataKi:  69nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50855(ALPHA-ERGOCRYPTINE | MLS000069839 | SMR000058703 |...)
Affinity DataIC50:  6.22E+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
TargetProtein LANA1(HHV-8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50855(ALPHA-ERGOCRYPTINE | MLS000069839 | SMR000058703 |...)
Affinity DataEC50: >7.50E+4nMAssay Description:Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay