Compile Data Set for Download or QSAR
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Found 43 of ki for UniProtKB: O90785
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36648(3-alkylaminoindazole cyclic urea, (H))
Affinity DataKi: <0.0100nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36647(3-Aminoindazole, 2)
Affinity DataKi:  0.0100nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36656(Cyclobutylmethyl cyclic urea)
Affinity DataKi:  0.0160nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36649(3-alkylaminoindazole cyclic urea, (Me))
Affinity DataKi:  0.0180nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM161((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1...)
Affinity DataKi:  0.0180nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36655(Cyclopropylmethyl cyclic urea)
Affinity DataKi:  0.0200nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM86658(3-Hexanol derivative, 4)
Affinity DataKi:  0.0210nM IC50:  0.170nMAssay Description:The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

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
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM50124714((4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-4,...)
Affinity DataKi:  0.0210nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36657(2-Naphthylmethyl cyclic urea)
Affinity DataKi:  0.0230nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36646(DMP850)
Affinity DataKi:  0.0310nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36650(3-alkylaminoindazole cyclic urea, (Et))
Affinity DataKi:  0.0410nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36658(n-Pentyl cyclic urea)
Affinity DataKi:  0.0410nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM104101(MIT-2-AD-93 (AD-93))
Affinity DataKi:  0.0460nMAssay 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
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM104104(N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...)
Affinity DataKi:  0.0700nMAssay 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
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36651(3-alkylaminoindazole cyclic urea, (i-Pr))
Affinity DataKi:  0.0900nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM104103(N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(cyclohexy...)
Affinity DataKi:  0.129nMAssay 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
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36659(n-Hexyl cyclic urea)
Affinity DataKi:  0.130nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataKi:  0.146nMAssay 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
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM519((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Affinity DataKi:  0.150nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  0.170nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM104106(MIT-2-KB-83 (KB-83))
Affinity DataKi:  0.194nMAssay 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
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36653(3-alkylaminoindazole cyclic urea, (n-Pr))
Affinity DataKi:  0.230nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM151((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-d...)
Affinity DataKi:  0.300nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM150((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.310nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM86657(3-Hexanol derivative, 3)
Affinity DataKi:  0.320nM IC50:  0.630nMAssay Description:The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36652(3-alkylaminoindazole cyclic urea, (c-PrCH2-))
Affinity DataKi:  0.340nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)
Affinity DataKi:  0.370nMAssay Description:Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)
Affinity DataKi:  0.370nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM520(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Affinity DataKi:  0.370nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM104109(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Affinity DataKi:  0.437nMAssay 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
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM518((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[...)
Affinity DataKi:  0.530nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataKi:  0.546nMAssay 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
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM36654(3-alkylaminoindazole cyclic urea, (-(CH2)4-))
Affinity DataKi:  1.30nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM586099(BDBM50064200 | TL-3)
Affinity DataKi:  1.5nM ΔG°:  -12.5kcal/molepH: 5.6 T: 2°CAssay Description:Inhibition of HIV-protease activity for selected acids at P3-P3' positions. More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM586090(P3-P3' Entry 8)
Affinity DataKi:  2nM ΔG°:  -12.3kcal/molepH: 5.6 T: 2°CAssay Description:Inhibition of HIV-protease activity for selected acids at P3-P3' positions. More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM40773(Silanediol, 17b)
Affinity DataKi:  2.70nMAssay Description:Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM104105(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[[5-(5-isoxazoly...)
Affinity DataKi:  3.33nMAssay 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
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM40774(Carbinol, 18b)
Affinity DataKi:  3.80nMAssay Description:Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM86655(3-Hexanol derivative, 1)
Affinity DataKi:  4.60nM IC50:  1nMAssay Description:The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM86656(3-Hexanol derivative, 2)
Affinity DataKi:  4.80nM IC50:  3nMAssay Description:The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM40772(Silanediol, 17a)
Affinity DataKi:  3.20E+3nMAssay Description:Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Dupont Pharmaceuticals

LigandPNGBDBM40775(Carbinol, 18a)
Affinity DataKi:  3.20E+3nMAssay Description:Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed