BDBM50515069 CHEMBL4522927::US10899764, Example 28

SMILES Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12

InChI Key InChIKey=UJGQDAMZVUNFBQ-UHFFFAOYSA-N

Data  12 IC50

  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 12 hits for monomerid = 50515069   

TargetCytochrome P450 2D6(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 3.00E+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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 9.70nMAssay Description:Inhibition of human IDO1 expressed in Escherichia coli Rosetta measured after 1 hr by microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetTryptophan 2,3-dioxygenase(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 47nMAssay Description:Inhibition of human TDO expressed in Escherichia coli Rosetta measured after 1 hr microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 3.00E+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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 3.00E+4nMAssay 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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 3.00E+4nMAssay 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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 3.00E+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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 3.00E+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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 76nMAssay 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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetIndoleamine 2,3-dioxygenase 1(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 5.17nMAssay 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
In Depth
Date in BDB:
8/15/2021
Entry Details
Go to US Patent

TargetTryptophan 2,3-dioxygenase(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 30.6nMAssay 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
In Depth
Date in BDB:
8/15/2021
Entry Details
Go to US Patent

TargetIndoleamine 2,3-dioxygenase 1(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515069(CHEMBL4522927 | US10899764, Example 28)
Affinity DataIC50: 85nMAssay Description:Inhibition of IDO1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed