null

SMILES Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1

InChI Key InChIKey=XFWKBJBSEOZBRA-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50240277   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam/testosterone as substrate after 30 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29025XBPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL
LigandPNGBDBM50240277(CHEMBL4061793)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect cells using 7-Benzoyloxy-4-trifluoromethyl coumarin substrate in pres...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8G8NPubMed