null

SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(Br)cc2)C(N)=O)c1OC

InChI Key InChIKey=DOFWARZRCWUXKJ-QFVIIZQESA-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 3 hits for monomerid = 8089   

TargetPlasmepsin I(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8089((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)copy SMILEScopy InChI
Affinity DataKi:  180nMAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27S7KZZPubMed
TargetPlasmepsin II(Plasmodium falciparum)
Uppsala University

LigandPNGBDBM8089((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)copy SMILEScopy InChI
Affinity DataKi:  810nM ΔG°:  -8.22kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27S7KZZPubMed
TargetCathepsin D(Homo sapiens (Human))
Uppsala University

LigandPNGBDBM8089((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)copy SMILEScopy InChI
Affinity DataKi: >2.90E+3nMAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27S7KZZPubMed