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

Found 53 hits affinity hit(s) for enzyme = Caspase-6 with UniProtKB: P55212
Target (A)Ligand (B)A
in PDB		B
in PDB		AB
in PDB		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		pHTemp
°C		Explore
Caspase-6

Homo sapiens		Pyridine Scaffold 59
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		000120.0-39.50n/an/an/a7.425 more..
Caspase-6

Homo sapiens		 Inhibitor 62b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		000190.0-38.36n/an/an/a7.425 more..
Caspase-6

Homo sapiens		 Inhibitor 66a
JPEG
((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)		000540.0-35.77n/an/an/a7.425 more..
Caspase-6

Homo sapiens		 Inhibitor 3
JPEG
(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)		0001000-34.24n/an/an/a7.425 more..
Caspase-6

Homo sapiens		Isatin analog 2
JPEG
(1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione)		0001000-34.82n/an/an/a7.430 more..
Caspase-6

Homo sapiens		 Inhibitor 4
JPEG
(5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)		0001400-33.41n/an/an/a7.425 more..
Caspase-6

Homo sapiens		Isatin analog 1
JPEG
(1-methyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione)		0001700-33.48n/an/an/a7.430 more..
Caspase-6

Homo sapiens		 Inhibitor 64b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		0002300-32.18n/an/an/a7.425 more..
Caspase-6

Homo sapiens		 Inhibitor 69b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		0002400-32.07n/an/an/a7.425 more..
Caspase-6

Homo sapiens		Isatin Sulfonamide 34
JPEG
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)		000>5000>-30.76n/an/an/a7.430 more..
Caspase-6

Homo sapiens		Isatin Sulfonamide 26
JPEG
((S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)		0007500-29.74n/an/an/a7.430 more..
Caspase-6

Homo sapiens		 Inhibitor 66b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		0009700-28.61n/an/an/a7.425 more..
Caspase-6

Homo sapiens		 Inhibitor 47c
JPEG
(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)		00022000-26.58n/an/an/a7.425 more..
Caspase-6

Homo sapiens		Isatin Sulfonamide 16
JPEG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)		000>25000>-26.70n/an/an/a7.430 more..
Caspase-6

Homo sapiens		Isatin Sulfonamide 29
JPEG
((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...)		00029000-26.33n/an/an/a7.430 more..
Caspase-6

Homo sapiens		Isatin Sulfonamide 20
JPEG
(5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2...)		000>50000>-24.96n/an/an/a7.430 more..
Caspase-6

Homo sapiens		Isatin Sulfonamide 27
JPEG
((R)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)		00057000-24.63n/an/an/a7.430 more..
Caspase-6

Homo sapiens		Ac-VEID-CHO
JPEG
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)		000n/an/a60.5n/an/a7.437 more..
Caspase-6

Homo sapiens		Isoquinoline-1,3,4-trione 13c
JPEG
(4-Oxo-4-piperidin-1-yl-N-(1,3,4-trioxo-1,2,3,4-tet...)		000n/an/a124.0n/an/a7.535 more..
Caspase-6

Homo sapiens		Isoquinoline-1,3,4-trione 13f
JPEG
(N-(2-Methoxy-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetra...)		000n/an/a137.0n/an/a7.535 more..
Caspase-6

Homo sapiens		Isoquinoline-1,3,4-trione 12a
JPEG
(3-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-y...)		000n/an/a201.0n/an/a7.535 more..
Caspase-6

Homo sapiens		Isoquinoline-1,3,4-trione 6k
JPEG
(2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro...)		000n/an/a216.0n/an/a7.535 more..
Caspase-6

Homo sapiens		Isoquinoline-1,3,4-trione 9k
JPEG
(3-Chloro-N-(1,2,3,4-tetrahydro-1,3,4-trioxoisoquin...)		000n/an/a283.0n/an/a7.535 more..
Caspase-6

Homo sapiens		Isoquinoline-1,3,4-trione 1
JPEG
(1,2,3,4-tetrahydroisoquinoline-1,3,4-trione)		000n/an/a474.0n/an/a7.535 more..
Caspase-6

Homo sapiens		Isoquinoline-1,3,4-trione 14c
JPEG
(4-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquino...)		000n/an/a2850.0n/an/a7.535 more..
Caspase-6

Homo sapiens		Pyridine Analogue 21d
JPEG
(1-(4-Methylthiobenzyl)-5-(2-(pyridin-3-yl-oxymethy...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyridine Analogue 21e
JPEG
(1-(4-Fluorobenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-p...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyridine Analogue 21c
JPEG
(1-(4-Methoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyridine Analogue 21b
JPEG
(1-Benzyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyridine Analogue 21a
JPEG
(1-Methyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyridine Analogue 20
JPEG
(5-(2-(Pyridin-3-yl-oxymethyl)-pyrrolidine-1-sulfon...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 18i
JPEG
((S)-1-(6-Fluoropyridin-2-yl-methyl)-5-(2-phenoxyme...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 18h
JPEG
((S)-1-(2-Fluoropyridin-4-yl-methyl)-5-(2-phenoxyme...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 18g
JPEG
((S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymet...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 18f
JPEG
((S)-1-(2-Fluorobenzyl)-5-(2-phenoxymethyl-azetidin...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 18e
JPEG
((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-azetidin...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 18d
JPEG
((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-azet...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 18c
JPEG
((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-azetidi...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 18b
JPEG
((S)-1-Benzyl-5-(2-phenoxymethyl-azetidine-1-sulfon...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 18a
JPEG
((S)-1-Methyl-5-(2-phenoxymethyl-azetidine-1-sulfon...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Azetidine Isatin Analogue 17
JPEG
((S)-5-(2-Phenoxymethyl-azetidine-1-sulfonyl)-1H-in...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyrrolidine Isatin Analogue 11i
JPEG
((S)-1-(6-Fluoro-pyridin-2-yl-methyl)-5-(2-phenoxym...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyrrolidine Isatin Analogue 11h
JPEG
((S)-1-(2-Fluoro-pyridin-4-yl-methyl)-5-(2-phenoxym...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyrrolidine Isatin Analogue 11g
JPEG
((S)-1-(6-Fluoropyridin-3-yl-methyl)-5-(2-phenoxyme...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyrrolidine Isatin Analogue 11f
JPEG
((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyrrolidine Isatin Analogue 11e
JPEG
(4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyrrolidine Isatin Analogue 11d
JPEG
((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrr...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyrrolidine Isatin Analogue 11c
JPEG
((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-pyrrolid...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyrrolidine Isatin Analogue 11b
JPEG
((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrroli...)		000n/an/a>5000.0n/an/a7.437 more..
Caspase-6

Homo sapiens		Pyridine Analogue 23
JPEG
(5-(2-(Pyridin-4-yl-oxymethyl)-pyrrolidine-1-sulfon...)		000n/an/a>5000.0n/an/a7.437 more..
Displayed 1 to 50 (of 53 total )  |  Next  |  Last  >>
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