BDBM24813 Brassinin, 1::N-(1H-indol-3-ylmethyl)(methylsulfanyl)carbothioamide::methyl N-(1H-indol-3-ylmethyl)carbamodithioate

SMILES CSC(=S)NCc1c[nH]c2ccccc12

InChI Key InChIKey=QYKQWFZDEDFELK-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 24813   

TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM24813(Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...)
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of IDOMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM24813(Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...)
Affinity DataKi:  9.77E+4nMAssay Description:Binding affinity to IDO1 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM24813(Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...)
Affinity DataKi:  9.77E+4nM ΔG°:  -5.69kcal/molepH: 6.5 T: 2°CAssay Description:The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
University Of Namur

Curated by ChEMBL
LigandPNGBDBM24813(Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...)
Affinity DataKi:  9.80E+4nMAssay Description:Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed