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
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 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
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))
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
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
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