null

SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key InChIKey=UBUFVRJUGFJQSI-PPJSLLJVSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50408997   

TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM50408997(CHEMBL2062137 | L-754394)copy SMILEScopy InChI
Affinity DataKi:  7.50E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ33X3PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM50408997(CHEMBL2062137 | L-754394)copy SMILEScopy InChI
Affinity DataKi:  3.20E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 2D6 measured by bufurarol 1'-hydroxylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ33X3PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50408997(CHEMBL2062137 | L-754394)copy SMILEScopy InChI
Affinity DataIC50: 0.350nMAssay Description:Inhibition of HIV-1 protease in vitro.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23J3DP4PubMed