BDBM50249048 CHEMBL4080256

SMILES Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12

InChI Key InChIKey=QZDITHIIKPAORB-OAHLLOKOSA-N

Data  9 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 9 hits for monomerid = 50249048   

TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249048(CHEMBL4080256)
Affinity DataIC50:  33nMAssay Description:Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249048(CHEMBL4080256)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of hepatic CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249048(CHEMBL4080256)
Affinity DataIC50:  3.80E+3nMAssay Description:Inhibition of hepatic CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249048(CHEMBL4080256)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of hepatic CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 21-hydroxylase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249048(CHEMBL4080256)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249048(CHEMBL4080256)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249048(CHEMBL4080256)
Affinity DataIC50:  386nMAssay Description:Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249048(CHEMBL4080256)
Affinity DataIC50:  6.20E+3nMAssay Description:Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Rattus norvegicus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50249048(CHEMBL4080256)
Affinity DataIC50:  33nMAssay Description:Inhibition of rat CYP11B2-1F4 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by subs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed