BDBM50176904 CHEMBL3814479

SMILES CC(C)(C)OC(=O)N[C@H](CSCCC(=O)NCc1cccnc1)Cc1ccccc1

InChI Key InChIKey=MVQZDJDMEHCEJW-FQEVSTJZSA-N

Data  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50176904   

TargetCytochrome P450 3A4(Human)
University of California Irvine

Curated by ChEMBL
LigandPNGBDBM50176904(CHEMBL3814479)
Affinity DataKd:  900nMAssay Description:Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCytochrome P450 3A4(Human)
University of California Irvine

Curated by ChEMBL
LigandPNGBDBM50176904(CHEMBL3814479)
Affinity DataIC50:  520nMAssay Description:Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)