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Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Found 408 hits affinity hit(s) for enzyme = Cathepsin S with UniProtKB: P25774
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
pHTemp
°C
Cathepsin S


Homo sapiens (human)
Heterocyclic arylaminoethyl amide, 12a
JPEG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
1.000-53.43n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1975-80 (2006)

Cathepsin S


Homo sapiens (human)
Azepan-3-one compound 10
JPEG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
1.600-49.69n/an/an/a5.522


GSK



J Med Chem. 49: 1597-612 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 15
JPEG
((2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
2.000-51.64n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 8
JPEG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
2.900-50.69n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
Heterocyclic arylaminoethyl amide, 12f
JPEG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
3.000-50.60n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1975-80 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 20
JPEG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
3.300-50.35n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 13
JPEG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
4.000-49.86n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
Azepan-3-one compound 1
JPEG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
DrugBank
PDB
PubChem
PubMed
4.000-47.45n/an/an/a5.522


GSK



J Med Chem. 49: 1597-612 (2006)

Cathepsin S


Homo sapiens (human)
Heterocyclic arylaminoethyl amide, 13c
JPEG
((2S)-2-(1,3-benzoxazol-2-ylamino)-N-[(2R)-1-(benzy...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
5.000-49.28n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1975-80 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 6
JPEG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
5.000-49.28n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide deriv. 30
JPEG
((2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
5.000-49.28n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5112-7 (2006)

Cathepsin S


Homo sapiens (human)
succinamide peptidomimetic, 15
JPEG
((2R)-2-(cyclohexylmethyl)-N-[(2S)-4-methanesulfony...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
5.000-49.28n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 17: 2899-903 (2007)

Cathepsin S


Homo sapiens (human)
Azepan-3-one compound 7
JPEG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
5.800-46.53n/an/an/a5.522


GSK



J Med Chem. 49: 1597-612 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide compound 11
JPEG
((3S)-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-3-[(2S...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
6.000-48.81n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1486-90 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide deriv. 18
JPEG
((2S)-3-cyclohexyl-2-(furan-3-ylformamido)-N-(2-{[4...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
6.000-48.81n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5112-7 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 8n
JPEG
((2S)-4-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
7.000-48.41n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1486-90 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 19
JPEG
((2S)-2-{[5-(4-chlorophenyl)furan-2-yl]formamido}-3...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
7.100-48.38n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 10
JPEG
((2S)-2-{[4-(3-chlorophenyl)phenyl]formamido}-3-cyc...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
7.400-48.27n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
piperidinone analogue, 27
JPEG
(benzyl N-[(1S)-1-({1-[(2S)-2-{[(benzyloxy)carbonyl...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
8.000-45.75n/an/an/a5.522


GSK



J Med Chem. 44: 725-36 (2001)

Cathepsin S


Homo sapiens (human)
Arylaminoethyl carbamate, 10
JPEG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
8.000-48.07n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5107-11 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 8k
JPEG
((2S)-4-cyclohexyl-N-[(2R,3R)-1-(5-fluoro-2,3-dihyd...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
8.000-48.07n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1486-90 (2006)

Cathepsin S


Homo sapiens (human)
Arylaminoethyl carbamate, 13
JPEG
((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
8.000-48.07n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5107-11 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 11
JPEG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
8.000-48.07n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
Azepan-3-one compound 9
JPEG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
8.300-45.65n/an/an/a5.522


GSK



J Med Chem. 49: 1597-612 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 9
JPEG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
9.100-47.74n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 7
JPEG
((2S)-2-[(5-chloro-1-benzofuran-2-yl)formamido]-3-c...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
9.400-47.65n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
Aldehyde Inhibitor, 12e
JPEG
(2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
9.600-47.60n/an/an/a6.137


University of California at Berkeley



J Med Chem. 50: 2693-9 (2007)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 5c
JPEG
((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
9.700-47.57n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 15: 4979-84 (2005)

Cathepsin S


Homo sapiens (human)
Heterocyclic arylaminoethyl amide, 12b
JPEG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
11.00-47.25n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1975-80 (2006)

Cathepsin S


Homo sapiens (human)
succinamide peptidomimetic, 12
JPEG
((2R)-2-(cyclohexylmethyl)-N-[(2S)-3-methyl-1-{[4-(...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
11.00-47.25n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 17: 2899-903 (2007)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide deriv. 14
JPEG
((2S)-3-cyclohexyl-N-(2-{[4-(trifluoromethoxy)pheny...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
11.00-47.25n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5112-7 (2006)

Cathepsin S


Homo sapiens (human)
succinamide peptidomimetic, 21
JPEG
((2R)-2-(2-cyclopentylethyl)-N-[(2S)-3-methyl-1-{[4...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
11.00-47.25n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 17: 2899-903 (2007)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide deriv. 29
JPEG
((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
11.00-47.25n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5112-7 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide deriv. 40
JPEG
((2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
11.00-47.25n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5112-7 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide deriv. 28
JPEG
((2S)-3-cyclohexyl-2-(morpholin-4-ylcarbonylamino)-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
11.00-47.25n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5112-7 (2006)

Cathepsin S


Homo sapiens (human)
Heterocyclic arylaminoethyl amide, 13f
JPEG
((3S)-3-[(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cycloh...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
12.00-47.02n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1975-80 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide deriv. 26
JPEG
((2S)-3-cyclohexyl-2-(oxan-4-ylformamido)-N-[(2S)-1...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
12.00-47.02n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5112-7 (2006)

Cathepsin S


Homo sapiens (human)
succinamide peptidomimetic, 19
JPEG
((2R)-2-(cyclopentylmethyl)-4-(morpholin-4-yl)-4-ox...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
12.00-47.02n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 17: 2899-903 (2007)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide deriv. 36
JPEG
((2R)-3-(benzylsulfanyl)-2-(morpholin-4-ylcarbonyla...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
12.00-47.02n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5112-7 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide deriv. 27
JPEG
(oxan-4-yl N-[(1S)-2-cyclohexyl-1-{[(2S)-1-{[4-(tri...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
12.00-47.02n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 5112-7 (2006)

Cathepsin S


Homo sapiens (human)
succinamide peptidomimetic, 11
JPEG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
13.00-46.82n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 17: 2899-903 (2007)

Cathepsin S


Homo sapiens (human)
succinamide peptidomimetic, 28
JPEG
((2R)-N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phen...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
14.00-46.63n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 17: 2899-903 (2007)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 8l
JPEG
((2S)-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
14.00-46.63n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1486-90 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 8b
JPEG
((2S)-4-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
14.00-46.63n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1486-90 (2006)

Cathepsin S


Homo sapiens (human)
Heterocyclic arylaminoethyl amide, 12d
JPEG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
15.00-46.45n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1975-80 (2006)

Cathepsin S


Homo sapiens (human)
Heterocyclic arylaminoethyl amide, 12e
JPEG
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
15.00-46.45n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1975-80 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 7a
JPEG
((2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
15.00-46.45n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1486-90 (2006)

Cathepsin S


Homo sapiens (human)
arylaminoethyl amide, 8h
JPEG
((2S)-N-[(2R,3R)-3-(benzyloxy)-1-(5-fluoro-2,3-dihy...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
PubChemPubMed
15.00-46.45n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 16: 1486-90 (2006)

Cathepsin S


Homo sapiens (human)
1, 2, 3 -Triazole Nitrile Inhibitor, 11e
JPEG
(N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
15.00-46.45n/an/an/a6.137


University of California at Berkeley



J Med Chem. 49: 6298-307 (2006)

Cathepsin S


Homo sapiens (human)
succinamide peptidomimetic, 10
JPEG
((2R)-2-(cyclohexylmethyl)-4-(morpholin-4-yl)-4-oxo...)
B.MOAD
DrugBank
GoogleScholar
MMDB
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
16.00-46.28n/an/an/a5.537


GNF



Bioorg Med Chem Lett. 17: 2899-903 (2007)

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