BDBM445664 Ex. 2/KM-06-57/(I-2)::US10683309, Example 2::US11028104, Example 2

SMILES CCn1c2nc(Cc3cn4CCCCc4n3)n(Cc3ccccc3)c2c(=O)[nH]c1=O

InChI Key InChIKey=XFMJUABYLXDYGS-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 445664   

TargetTryptophan 5-hydroxylase 1(Homo sapiens (Human))
Max-DelbrÜCk-Centrum FÜR Molekulare Medizin

US Patent
LigandPNGBDBM445664(Ex. 2/KM-06-57/(I-2) | US10683309, Example 2 | US1...)
Affinity DataIC50:  412nMAssay Description:The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTryptophan 5-hydroxylase 2(Homo sapiens (Human))
Max-DelbrÜCk-Centrum FÜR Molekulare Medizin

US Patent
LigandPNGBDBM445664(Ex. 2/KM-06-57/(I-2) | US10683309, Example 2 | US1...)
Affinity DataIC50:  40nMAssay Description:The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetTryptophan 5-hydroxylase 1(Homo sapiens (Human))
Max-DelbrÜCk-Centrum FÜR Molekulare Medizin

US Patent
LigandPNGBDBM445664(Ex. 2/KM-06-57/(I-2) | US10683309, Example 2 | US1...)
Affinity DataIC50:  412nMAssay Description:The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTryptophan 5-hydroxylase 2(Homo sapiens (Human))
Max-DelbrÜCk-Centrum FÜR Molekulare Medizin

US Patent
LigandPNGBDBM445664(Ex. 2/KM-06-57/(I-2) | US10683309, Example 2 | US1...)
Affinity DataIC50:  40nMAssay Description:The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent