BDBM50176903 CHEMBL3814877

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3

InChI Key InChIKey=KSORMZFPXQKUAB-UHFFFAOYSA-N

Data  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50176903   

TargetCytochrome P450 3A4(Human)
University of California Irvine

Curated by ChEMBL
LigandPNGBDBM50176903(CHEMBL3814877)
Affinity DataIC50: 210nMAssay 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 Depth
Date in BDB:
9/14/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
University of California Irvine

Curated by ChEMBL
LigandPNGBDBM50176903(CHEMBL3814877)
Affinity DataKd:  500nMAssay 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 Depth
Date in BDB:
9/14/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)