BDBM50206963 CHEMBL3948337::US9518055, Example 41

SMILES Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12

InChI Key InChIKey=VSSMWFPLHKIWCP-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50206963   

TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Merck Usa

Curated by ChEMBL
LigandPNGBDBM50206963(CHEMBL3948337 | US9518055, Example 41)
Affinity DataIC50:  100nMAssay 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 Usa

Curated by ChEMBL
LigandPNGBDBM50206963(CHEMBL3948337 | US9518055, Example 41)
Affinity DataIC50:  790nMAssay 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 3A4(Homo sapiens (Human))
Merck Usa

Curated by ChEMBL
LigandPNGBDBM50206963(CHEMBL3948337 | US9518055, Example 41)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of hepatic CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Merck Usa

Curated by ChEMBL
LigandPNGBDBM50206963(CHEMBL3948337 | US9518055, Example 41)
Affinity DataIC50:  57.5nMAssay Description:V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Merck Usa

Curated by ChEMBL
LigandPNGBDBM50206963(CHEMBL3948337 | US9518055, Example 41)
Affinity DataIC50:  0.600nMAssay 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 11B2, mitochondrial(Homo sapiens (Human))
Merck Usa

Curated by ChEMBL
LigandPNGBDBM50206963(CHEMBL3948337 | US9518055, Example 41)
Affinity DataIC50:  0.5nMAssay Description:V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSteroid 21-hydroxylase(Homo sapiens (Human))
Merck Usa

Curated by ChEMBL
LigandPNGBDBM50206963(CHEMBL3948337 | US9518055, Example 41)
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