BDBM50515068 CHEMBL4443301

SMILES Cc1cc(ccc1-c1cnn(C)c1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12

InChI Key InChIKey=ILDDTQOAULOQBC-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 50515068   

TargetCytochrome P450 3A4(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515068(CHEMBL4443301)
Affinity DataIC50: 440nMAssay 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
LigandPNGBDBM50515068(CHEMBL4443301)
Affinity DataIC50: 14nMAssay 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
LigandPNGBDBM50515068(CHEMBL4443301)
Affinity DataIC50: 121nMAssay 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 2C9(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515068(CHEMBL4443301)
Affinity DataIC50: 300nMAssay 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
TargetTryptophan 2,3-dioxygenase(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515068(CHEMBL4443301)
Affinity DataIC50: 114nMAssay 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
LigandPNGBDBM50515068(CHEMBL4443301)
Affinity DataIC50: 1.57E+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
TargetCytochrome P450 2D6(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515068(CHEMBL4443301)
Affinity DataIC50: 4.51E+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
LigandPNGBDBM50515068(CHEMBL4443301)
Affinity DataIC50: 210nMAssay 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 1A2(Human)
Shanghai Hengrui Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50515068(CHEMBL4443301)
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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed