BDBM914 Aminodiol deriv. 9a::BMS-186318 analog 1::[(S,R)-3-[[(R,S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl Ester::tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

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

InChI Key InChIKey=KKRYDPVDJYCEER-QEGGNFSNSA-N

Data  2 KI  4 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 914   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Bristol-Myers Squibb

LigandPNGBDBM914(Aminodiol deriv. 9a | BMS-186318 analog 1 | [(S,R)...)
Affinity DataKi:  100nM ΔG°:  -9.93kcal/mole IC50:  125nMpH: 5.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM914(Aminodiol deriv. 9a | BMS-186318 analog 1 | [(S,R)...)
Affinity DataKi:  100nMAssay Description:In vitro inhibition of HIV-1 protease.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM914(Aminodiol deriv. 9a | BMS-186318 analog 1 | [(S,R)...)
Affinity DataIC50:  125nMAssay Description:In vitro inhibition of HIV-1 protease.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Bristol-Myers Squibb

LigandPNGBDBM914(Aminodiol deriv. 9a | BMS-186318 analog 1 | [(S,R)...)
Affinity DataIC50:  125nMpH: 5.5 T: 2°CAssay Description:IC50 values are determined by inhibition of the cleavage of the peptidic substrate [V-S-Q-N-(beta-naphthylalanine)-P-I-V]. The IC50 value represents ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM914(Aminodiol deriv. 9a | BMS-186318 analog 1 | [(S,R)...)
Affinity DataIC50:  125nMAssay Description:Inhibition of HIV protease cleavage of V-S-Q-N-(b-naphthylalanine)-P-I-VMore data for this Ligand-Target Pair