BDBM50206972 CHEMBL3911595::US9518055, Example 29

SMILES Cc1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1

InChI Key InChIKey=MLZARUDBOJDNLR-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50206972   

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

Curated by ChEMBL
LigandPNGBDBM50206972(CHEMBL3911595 | US9518055, Example 29)
Affinity DataIC50:  280nMAssay 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
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Merck Usa

Curated by ChEMBL
LigandPNGBDBM50206972(CHEMBL3911595 | US9518055, Example 29)
Affinity DataIC50:  589nMAssay 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 Sharp & Dohme

US Patent
LigandPNGBDBM50206972(CHEMBL3911595 | US9518055, Example 29)
Affinity DataIC50:  1.5nMAssay 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 Sharp & Dohme

US Patent
LigandPNGBDBM50206972(CHEMBL3911595 | US9518055, Example 29)
Affinity DataIC50:  3.30nMAssay 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