BDBM50515083 CHEMBL4459856::US10899764, Example 9

SMILES Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12

InChI Key InChIKey=UJGQDAMZVUNFBQ-UHFFFAOYSA-N

Data  11 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50515083   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50:  8.40E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Jiangsu Hengrui Medicine

US Patent
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50:  132nMAssay Description:TDO: For testing, 24 μL of enzyme (TDO) was diluted 100 times with 50 mM KPB to 2400 μL. The concentration of the enzyme solution was 2.6 n...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50:  26nMAssay Description:Inhibition of human IDO1 expressed in Escherichia coli Rosetta measured after 1 hr by microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Jiangsu Hengrui Medicine

US Patent
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50:  132nMAssay Description:Inhibition of human TDO expressed in Escherichia coli Rosetta measured after 1 hr microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50:  101nMAssay Description:Inhibition of IDO in human HeLa cells using tryptophan as substrate measured after 48 hrs in presence of INF gamma microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50:  25.7nMAssay Description:IDO1: For testing, 24 μL of enzyme (IDO1) was diluted 100 times with 50 mM KPB to 2400 μL. The concentration of the enzyme solution was 2.6...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515083(CHEMBL4459856 | US10899764, Example 9)
Affinity DataIC50:  6.08E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed