null

SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O

InChI Key InChIKey=XCGSFFUVFURLIX-VFGNJEKYSA-N

PDB links: 6 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 5 hits for monomerid = 50027065   

Target5-hydroxytryptamine receptor 1D(RAT)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)copy SMILEScopy InChI
Affinity DataKi:  0.0700nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M043X2PubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)copy SMILEScopy InChI
Affinity DataKi:  0.800nMAssay Description:Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CF9PBPPubMedDrugBank
Target5-hydroxytryptamine receptor 1D(Dog)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)copy SMILEScopy InChI
Affinity DataKi:  1.94nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M043X2PubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)copy SMILEScopy InChI
Affinity DataKi:  4.30nMAssay Description:Displacement of [3H]GR125743 from recombinant human 5-HT1D receptor expressed in HEK cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23B60JFPubMedDrugBank
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)copy SMILEScopy InChI
Affinity DataKi:  6nMAssay Description:Displacement of [3H]5-carboximidotryptamine from 5-HT1D receptor after 1.5 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X29BFPubMedDrugBank