null

SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cc2ccccc2)cc1

InChI Key InChIKey=PCCSQWIIQMYKAL-UHFFFAOYSA-N

  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 5 hits for monomerid = 50193124   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rattus norvegicus (Rat))
University of Szeged

Curated by ChEMBL
LigandPNGBDBM50193124(CHEMBL318663)copy SMILEScopy InChI
Affinity DataIC50: 320nMAssay Description:Inhibition of Wistar rat testicular C17,20-lyase assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in pres...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q2065PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL
LigandPNGBDBM50193124(CHEMBL318663)copy SMILEScopy InChI
Affinity DataIC50: 7.40nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as reduction in 4-OH-midazolam formation by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28K7C1MPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL
LigandPNGBDBM50193124(CHEMBL318663)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as reduction in nifedipine oxidation incubated for 10 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD7XM9PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL
LigandPNGBDBM50193124(CHEMBL318663)copy SMILEScopy InChI
Affinity DataIC50: 29nMAssay Description:Inhibition of CYP3A4 in pooled human hepatic microsomes using testosterone substrate in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7CDJPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL
LigandPNGBDBM50193124(CHEMBL318663)copy SMILEScopy InChI
Affinity DataIC50: 9.10nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as reduction in 1-OH-midazolam formation by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28K7C1MPubMed