null

SMILES CCOc1nc(Cl)ccc1C1(N2CCN(CC2)c2ccnc(C)c2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1

InChI Key InChIKey=ZLSVWMNWYLPEOW-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 4 hits for monomerid = 50466872   

TargetVasopressin V1b receptor(Homo sapiens (Human))
AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50466872(CHEMBL4281098)copy SMILEScopy InChI
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cell membranes after 60 mins by TopCount microplate scintillation counti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC13CCPubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50466872(CHEMBL4281098)copy SMILEScopy InChI
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cell membranes after 60 mins by TopCount microplate scintillation counti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC13CCPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50466872(CHEMBL4281098)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes in presence of NADPH and Luciferin BE 50More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC13CCPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL
LigandPNGBDBM50466872(CHEMBL4281098)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes in presence of NADPH and Luciferin BE 50More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC13CCPubMed