BDBM50515064 CHEMBL4471614::US10899764, Example 34

SMILES Cn1cc(cn1)-c1ccc(N2CCC(CC2)C2c3c(cccc3F)-c3cncn23)c(F)c1

InChI Key InChIKey=BOPDNMINCZXPFG-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50515064   

TargetCytochrome P450 1A2(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 8.95E+3nMAssay 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 2C19(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 1.15E+3nMAssay 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
TargetTryptophan 2,3-dioxygenase(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 215nMAssay 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
TargetIndoleamine 2,3-dioxygenase 1(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 57nMAssay 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
TargetCytochrome P450 2D6(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 9.61E+3nMAssay 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
TargetCytochrome P450 3A4(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 350nMAssay 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 2C9(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 940nMAssay 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
TargetCytochrome P450 3A4(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 950nMAssay 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
TargetIndoleamine 2,3-dioxygenase 1(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 21nMAssay 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
TargetIndoleamine 2,3-dioxygenase 1(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 15.8nMAssay 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
LigandPNGBDBM50515064(CHEMBL4471614 | US10899764, Example 34)
Affinity DataIC50: 143nMAssay 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