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

Found 75 hits affinity hit(s) for enzyme = Caspase-6 with UniProtKB: P55212
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
pHTemp
°C
Caspase-6


Homo sapiens (human)
Pyridine Scaffold 59
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
120.0-39.50n/an/an/a7.425


Sunesis Pharmaceuticals



J Med Chem. 45: 5005-22 (2002)

Caspase-6


Homo sapiens (human)
Inhibitor 62b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
190.0-38.36n/an/an/a7.425


Sunesis Pharmaceuticals



J Med Chem. 45: 5005-22 (2002)

Caspase-6


Homo sapiens (human)
Inhibitor 66a
JPEG
((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
540.0-35.77n/an/an/a7.425


Sunesis Pharmaceuticals



J Med Chem. 45: 5005-22 (2002)

Caspase-6


Homo sapiens (human)
Inhibitor 3
JPEG
(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
1000-34.24n/an/an/a7.425


Sunesis Pharmaceuticals



J Med Chem. 45: 5005-22 (2002)

Caspase-6


Homo sapiens (human)
Isatin analog 2
JPEG
(1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
1000-34.82n/an/an/a7.430


GlaxoSmithKline



J Med Chem. 44: 2015-26 (2001)

Caspase-6


Homo sapiens (human)
Inhibitor 4
JPEG
(5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
1400-33.41n/an/an/a7.425


Sunesis Pharmaceuticals



J Med Chem. 45: 5005-22 (2002)

Caspase-6


Homo sapiens (human)
Isatin analog 1
JPEG
(1-methyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
1700-33.48n/an/an/a7.430


GlaxoSmithKline



J Med Chem. 44: 2015-26 (2001)

Caspase-6


Homo sapiens (human)
Inhibitor 64b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
2300-32.18n/an/an/a7.425


Sunesis Pharmaceuticals



J Med Chem. 45: 5005-22 (2002)

Caspase-6


Homo sapiens (human)
Inhibitor 69b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
2400-32.07n/an/an/a7.425


Sunesis Pharmaceuticals



J Med Chem. 45: 5005-22 (2002)

Caspase-6


Homo sapiens (human)
Isatin Sulfonamide 34
JPEG
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
>5000>-30.76n/an/an/a7.430


GlaxoSmithKline



J Med Chem. 44: 2015-26 (2001)

Caspase-6


Homo sapiens (human)
Isatin Sulfonamide 26
JPEG
((S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
7500-29.74n/an/an/a7.430


GlaxoSmithKline



J Med Chem. 44: 2015-26 (2001)

Caspase-6


Homo sapiens (human)
Inhibitor 66b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
9700-28.61n/an/an/a7.425


Sunesis Pharmaceuticals



J Med Chem. 45: 5005-22 (2002)

Caspase-6


Homo sapiens (human)
Inhibitor 47c
JPEG
(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
22000-26.58n/an/an/a7.425


Sunesis Pharmaceuticals



J Med Chem. 45: 5005-22 (2002)

Caspase-6


Homo sapiens (human)
Isatin Sulfonamide 16
JPEG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
>25000>-26.70n/an/an/a7.430


GlaxoSmithKline



J Med Chem. 44: 2015-26 (2001)

Caspase-6


Homo sapiens (human)
Isatin Sulfonamide 29
JPEG
((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
29000-26.33n/an/an/a7.430


GlaxoSmithKline



J Med Chem. 44: 2015-26 (2001)

Caspase-6


Homo sapiens (human)
Isatin Sulfonamide 20
JPEG
(5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
>50000>-24.96n/an/an/a7.430


GlaxoSmithKline



J Med Chem. 44: 2015-26 (2001)

Caspase-6


Homo sapiens (human)
Isatin Sulfonamide 27
JPEG
((R)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
57000-24.63n/an/an/a7.430


GlaxoSmithKline



J Med Chem. 44: 2015-26 (2001)

Caspase-6


Homo sapiens (human)
Ac-VEID-CHO
JPEG
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a8.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
Ac-VEID-CHO
JPEG
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a60.5n/an/a7.437


Washington University School of Medicine



J Med Chem. 48: 7637-47 (2005)

Caspase-6


Homo sapiens (human)
Isoquinoline-1,3,4-trione 13c
JPEG
(4-Oxo-4-piperidin-1-yl-N-(1,3,4-trioxo-1,2,3,4-tet...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a124.0n/an/a7.535


Shanghai Institutes for Biological Sciences



J Med Chem. 49: 1613-23 (2006)

Caspase-6


Homo sapiens (human)
Isoquinoline-1,3,4-trione 13f
JPEG
(N-(2-Methoxy-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetra...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a137.0n/an/a7.535


Shanghai Institutes for Biological Sciences



J Med Chem. 49: 1613-23 (2006)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 13a
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a151.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 18a
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a156.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 13b
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a188.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 18b
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a197.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
Isoquinoline-1,3,4-trione 12a
JPEG
(3-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-y...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a201.0n/an/a7.535


Shanghai Institutes for Biological Sciences



J Med Chem. 49: 1613-23 (2006)

Caspase-6


Homo sapiens (human)
Isoquinoline-1,3,4-trione 6k
JPEG
(2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro...)
GoogleScholar
PDB
UniProtKB/SwissProt
PDB
PubChem
PubMed
n/an/a216.0n/an/a7.535


Shanghai Institutes for Biological Sciences



J Med Chem. 49: 1613-23 (2006)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 13c
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a230.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 19a
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a241.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 18c
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a280.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
Isoquinoline-1,3,4-trione 9k
JPEG
(3-Chloro-N-(1,2,3,4-tetrahydro-1,3,4-trioxoisoquin...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a283.0n/an/a7.535


Shanghai Institutes for Biological Sciences



J Med Chem. 49: 1613-23 (2006)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 11a
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a325.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 19b
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a358.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 12a
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a425.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 12b
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a453.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 19c
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a468.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
Isoquinoline-1,3,4-trione 1
JPEG
(1,2,3,4-tetrahydroisoquinoline-1,3,4-trione)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PDB
PubChem
PubMed
n/an/a474.0n/an/a7.535


Shanghai Institutes for Biological Sciences



J Med Chem. 49: 1613-23 (2006)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 11b
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a545.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 11c
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a568.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 12c
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
PubChemPubMed
n/an/a591.7n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
isatin Michael acceptor (IMA) analogue, 3
JPEG
           
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a918.0n/an/a7.437


Washington University



J Med Chem. 52: 2188-91 (2009)

Caspase-6


Homo sapiens (human)
Isoquinoline-1,3,4-trione 14c
JPEG
(4-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquino...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a2850.0n/an/a7.535


Shanghai Institutes for Biological Sciences



J Med Chem. 49: 1613-23 (2006)

Caspase-6


Homo sapiens (human)
Isatin Sulfonamide 31
JPEG
((S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PDB
PubChem
PubMed
n/an/a>5000.0n/an/a7.437


Washington University School of Medicine



J Med Chem. 48: 7637-47 (2005)

Caspase-6


Homo sapiens (human)
Isatin Sulfonamide 34
JPEG
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a>5000.0n/an/a7.437


Washington University School of Medicine



J Med Chem. 48: 7637-47 (2005)

Caspase-6


Homo sapiens (human)
Pyrrolidine Isatin Analogue 11b
JPEG
((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrroli...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a>5000.0n/an/a7.437


Washington University School of Medicine



J Med Chem. 48: 7637-47 (2005)

Caspase-6


Homo sapiens (human)
Pyrrolidine Isatin Analogue 11c
JPEG
((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-pyrrolid...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a>5000.0n/an/a7.437


Washington University School of Medicine



J Med Chem. 48: 7637-47 (2005)

Caspase-6


Homo sapiens (human)
Pyrrolidine Isatin Analogue 11d
JPEG
((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrr...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a>5000.0n/an/a7.437


Washington University School of Medicine



J Med Chem. 48: 7637-47 (2005)

Caspase-6


Homo sapiens (human)
Pyrrolidine Isatin Analogue 11e
JPEG
(4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a>5000.0n/an/a7.437


Washington University School of Medicine



J Med Chem. 48: 7637-47 (2005)

Caspase-6


Homo sapiens (human)
Pyrrolidine Isatin Analogue 11f
JPEG
((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a>5000.0n/an/a7.437


Washington University School of Medicine



J Med Chem. 48: 7637-47 (2005)

Caspase-6


Homo sapiens (human)
Pyrrolidine Isatin Analogue 11g
JPEG
((S)-1-(6-Fluoropyridin-3-yl-methyl)-5-(2-phenoxyme...)
GoogleScholar
PDB
UniProtKB/SwissProt
CSLS
PubChem
PubMed
n/an/a>5000.0n/an/a7.437


Washington University School of Medicine



J Med Chem. 48: 7637-47 (2005)

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