BDBM86529 CAS_113-15-5::ERGOTAMINE::NSC_3251

SMILES CN1CC(C=C2C1Cc1c[nH]c3cccc2c13)C(=O)NC1(C)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O

InChI Key InChIKey=XCGSFFUVFURLIX-UHFFFAOYSA-N

Data  3 KI

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 86529   

Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM86529(CAS_113-15-5 | ERGOTAMINE | NSC_3251)
Affinity DataKi:  0.980nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM86529(CAS_113-15-5 | ERGOTAMINE | NSC_3251)
Affinity DataKi:  1.29nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Vernalis Research

Curated by PDSP Ki Database
LigandPNGBDBM86529(CAS_113-15-5 | ERGOTAMINE | NSC_3251)
Affinity DataKi:  1.91nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed