BDBM104102 (2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)[(2S)-2- methylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AG-23)

SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@@H](C)CC)S(=O)(=O)c1ccc2ncsc2c1

InChI Key InChIKey=OVZSMGMZKQWSSF-FIGPNCGPSA-N

Data  5 KI  6 EC50

  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 11 hits for monomerid = 104102   

TargetHIV-1 protease(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataKi:  0.0210nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [484-582,I494L,I497V,V499I,D514N,E519D,R541K,D544E,Q553K,N572D,L573M](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataKi:  0.0280nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataKi:  0.0480nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataKi:  0.0920nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [484-582,I497V,V499I,E519D,G532V,I538V,R541K,D544E,Q553K,V566A,L573M](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataKi:  0.376nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMDRC4(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataEC50:  8.70nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHIV WT-C pol protein (wild-type clade C)(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataEC50:  3.5nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataEC50:  1.90nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHIV WT-A pol protein (wild-type clade A)(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataEC50:  2.30nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMDR1(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataEC50:  7.20nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-892](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104102((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothia...)
Affinity DataEC50:  2.70nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed