BDBM36371 5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone, Nec-1::CID2828334::US10501473, Comparative Example 1

SMILES CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O

InChI Key InChIKey=TXUWMXQFNYDOEZ-UHFFFAOYSA-N

Data  4 KI  9 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 14 hits for monomerid = 36371   

TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataKi:  1.14E+4nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataKi:  1.14E+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
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataKi:  1.14E+4nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataKi:  1.20E+4nMAssay Description:Competitive inhibition of 6His-tagged human recombinant IDO expressed in Escherichia coli BL21DE3pLysMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataIC50:  1.14E+3nMAssay Description:Inhibition of human RIPK1 incubated for 40 min in presence of ATP by ADP-Glo luminescence kinase assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataIC50:  95.5nMAssay Description:RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylm...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of IDO (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataIC50:  110nMAssay Description:Inhibition of recombinant human IDO using L-Trp as substrate incubated for 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataIC50:  7.69E+4nMAssay Description:Inhibition of human recombinant His6-tagged IDO1 expressed in Escherichia coli strain BL21DE3pLysMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataIC50:  1.15E+5nMAssay Description:Inhibition of recombinant human IDO using L-tryptophan as substrate after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataIC50:  182nMAssay Description:Inhibition of recombinant human GST-fused RIPK1 (1 to 497 residues) expressed in baculovirus infected insect Sf9 cells in presence of 32P-gamma-ATP a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataIC50:  7.69E+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
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataEC50:  182nMpH: 7.3 T: 2°CAssay Description:In vitro kinase assay using RIP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM36371(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Affinity DataIC50:  760nMAssay Description:Inhibition of recombinant GST-tagged RIP1 (unknown origin) after 4 hrs by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed