BDBM197 (2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide::A-76889::CHEMBL43294

SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C

InChI Key InChIKey=QPVWMQXBTCSLCB-RRUVMKMCSA-N

Data  4 KI  1 Kd  1 EC50

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 6 hits for monomerid = 197   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM197((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKi:  0.110nMAssay Description:Inhibitory activity of the compound was measured against wild-type HIV-1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Nci-Fcrdc

LigandPNGBDBM197((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKi:  0.112nM ΔG°:  -13.8kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM197((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKi:  0.150nMAssay Description:Compound was evaluated for the inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM197((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKi: <1nMAssay Description:Compound was tested for the inhibition activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM197((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKd:  0.977nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM197((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataEC50:  70nMAssay Description:Effective concentration of compound for inhibition of HIV 1 protease was determinedMore data for this Ligand-Target Pair