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

Found 112 hits affinity hit(s) for enzyme = Caspase-7 with UniProtKB: P55210
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-7

Homo sapiens		Isatin Sulfonamide 34
JPEG
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)		16006.000-47.71n/an/an/a7.530 more..
Caspase-7

Homo sapiens		Isatin Sulfonamide 29
JPEG
((S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}i...)		160047.00-42.52n/an/an/a7.530 more..
Caspase-7

Homo sapiens		Isatin Sulfonamide 26
JPEG
((S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)		160047.00-42.52n/an/an/a7.530 more..
Caspase-7

Homo sapiens		Pyridine Scaffold 59
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		160090.00-40.21n/an/an/a7.425 more..
Caspase-7

Homo sapiens		 Inhibitor 62b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		160090.00-40.21n/an/an/a7.425 more..
Caspase-7

Homo sapiens		 Inhibitor 64b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		160090.00-40.21n/an/an/a7.425 more..
Caspase-7

Homo sapiens		 Inhibitor 66a
JPEG
((S)-5-5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thi...)		1600120.0-39.50n/an/an/a7.425 more..
Caspase-7

Homo sapiens		 Inhibitor 66b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		1600130.0-39.30n/an/an/a7.425 more..
Caspase-7

Homo sapiens		 Inhibitor 4
JPEG
(5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)		1600130.0-39.30n/an/an/a7.425 more..
Caspase-7

Homo sapiens		Isatin analog 2
JPEG
(1-benzyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione)		1600170.0-39.28n/an/an/a7.530 more..
Caspase-7

Homo sapiens		Isatin Sulfonamide 16
JPEG
((S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isa...)		1600170.0-39.28n/an/an/a7.530 more..
Caspase-7

Homo sapiens		 Inhibitor 47c
JPEG
(5-({[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methy...)		1600190.0-38.36n/an/an/a7.425 more..
Caspase-7

Homo sapiens		Isatin analog 1
JPEG
(1-methyl-5-nitro-2,3-dihydro-1H-indole-2,3-dione)		1600290.0-37.94n/an/an/a7.530 more..
Caspase-7

Homo sapiens		 Inhibitor 3
JPEG
(5-{[(4-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl...)		1600470.0-36.11n/an/an/a7.425 more..
Caspase-7

Homo sapiens		 Inhibitor 69b
JPEG
((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...)		1600940.0-34.40n/an/an/a7.425 more..
Caspase-7

Homo sapiens		Isatin Sulfonamide 20
JPEG
(5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2...)		16003000-32.05n/an/an/a7.530 more..
Caspase-7

Homo sapiens		Burnham Institute Compound 1
JPEG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluo...)		16006200-29.42n/an/an/a7.522 more..
Caspase-7

Homo sapiens		Isatin Sulfonamide 27
JPEG
((R)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}i...)		160010000-29.01n/an/an/a7.530 more..
Caspase-7

Homo sapiens		Bz-DAVD-phenylpropyl ketone
JPEG
((3S)-3-[(2S)-2-[(2S)-2-[(3S)-3-formamido-3-(phenyl...)		1600n/an/a8.4n/an/a737 more..
Caspase-7

Homo sapiens		Ac-DEVD-CHO
JPEG
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)		1600n/an/a8.5n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyridine Analogue 21b
JPEG
(1-Benzyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine...)		1600n/an/a14.1n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyrrolidine Isatin Analogue 11g
JPEG
((S)-1-(6-Fluoropyridin-3-yl-methyl)-5-(2-phenoxyme...)		1600n/an/a14.5n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyridine Analogue 21c
JPEG
(1-(4-Methoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-...)		1600n/an/a15.1n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyridine Analogue 21e
JPEG
(1-(4-Fluorobenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-p...)		1600n/an/a15.1n/an/a7.437 more..
Caspase-7

Homo sapiens		Azetidine Isatin Analogue 18g
JPEG
((S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymet...)		1600n/an/a17.0n/an/a7.437 more..
Caspase-7

Homo sapiens		Azetidine Isatin Analogue 18e
JPEG
((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-azetidin...)		1600n/an/a21.0n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyrrolidine Isatin Analogue 11b
JPEG
((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-pyrroli...)		1600n/an/a21.8n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyrrolidine Isatin Analogue 11i
JPEG
((S)-1-(6-Fluoro-pyridin-2-yl-methyl)-5-(2-phenoxym...)		1600n/an/a22.2n/an/a7.437 more..
Caspase-7

Homo sapiens		Azetidine Isatin Analogue 18i
JPEG
((S)-1-(6-Fluoropyridin-2-yl-methyl)-5-(2-phenoxyme...)		1600n/an/a22.7n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyrrolidine Isatin Analogue 11c
JPEG
((S)-1-(4-Fluorobenzyl)-5-(2-phenoxymethyl-pyrrolid...)		1600n/an/a23.0n/an/a7.437 more..
Caspase-7

Homo sapiens		Azetidine Isatin Analogue 18c
JPEG
((S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-azetidi...)		1600n/an/a23.2n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyridine Analogue 21d
JPEG
(1-(4-Methylthiobenzyl)-5-(2-(pyridin-3-yl-oxymethy...)		1600n/an/a23.3n/an/a7.437 more..
Caspase-7

Homo sapiens		CINNAMIC ACID METHYL ESTER INHIBITOR
JPEG
((3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-(...)		1610n/an/a24.0n/an/a737 more..
Caspase-7

Homo sapiens		Azetidine Isatin Analogue 18f
JPEG
((S)-1-(2-Fluorobenzyl)-5-(2-phenoxymethyl-azetidin...)		1600n/an/a26.0n/an/a7.437 more..
Caspase-7

Homo sapiens		Azetidine Isatin Analogue 18d
JPEG
((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-azet...)		1600n/an/a26.7n/an/a7.437 more..
Caspase-7

Homo sapiens		Isatin Sulfonamide 34
JPEG
((S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]s...)		1600n/an/a28.0n/an/a7.437 more..
Caspase-7

Homo sapiens		Azetidine Isatin Analogue 18b
JPEG
((S)-1-Benzyl-5-(2-phenoxymethyl-azetidine-1-sulfon...)		1600n/an/a29.5n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyrrolidine Isatin Analogue 11e
JPEG
(4-[(2,3-dioxo-5-{[(2S)-2-(phenoxymethyl)pyrrolidin...)		1600n/an/a34.8n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyrrolidine Isatin Analogue 11d
JPEG
((S)-1-(4-Methylthiobenzyl)-5-(2-phenoxymethyl-pyrr...)		1600n/an/a41.0n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyrrolidine Isatin Analogue 11f
JPEG
((S)-1-(4-Hydroxybenzyl)-5-(2-phenoxymethyl-pyrroli...)		1600n/an/a44.0n/an/a7.437 more..
Caspase-7

Homo sapiens		Pyrrolidine Isatin Analogue 11h
JPEG
((S)-1-(2-Fluoro-pyridin-4-yl-methyl)-5-(2-phenoxym...)		1600n/an/a58.0n/an/a7.437 more..
Caspase-7

Homo sapiens		Isoquinoline-1,3,4-trione 6k
JPEG
(2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydro...)		1600n/an/a63.0n/an/a7.535 more..
Caspase-7

Homo sapiens		valine aspartyl ketone 34
JPEG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{2-hydroxy-2-[2-...)		1600n/an/a63.0n/an/a737 more..
Caspase-7

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...)		1600n/an/a64.0n/an/a7.535 more..
Caspase-7

Homo sapiens		Ac-DEVD-CHO
JPEG
((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...)		1600n/an/a87.0n/an/a737 more..
Caspase-7

Homo sapiens		valine aspartyl ketone 30
JPEG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-(5-bromo-2-me...)		1600n/an/a91.0n/an/a737 more..
Caspase-7

Homo sapiens		Pyridine Analogue 21a
JPEG
(1-Methyl-5-(2-(pyridin-3-yl-oxymethyl)-pyrrolidine...)		1600n/an/a94.9n/an/a7.437 more..
Caspase-7

Homo sapiens		valine aspartyl ketone 33
JPEG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-{1-[2-methoxy-5-...)		1600n/an/a97.0n/an/a737 more..
Caspase-7

Homo sapiens		valine aspartyl ketone analog 16
JPEG
((3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}...)		1600n/an/a120.0n/an/a737 more..
Caspase-7

Homo sapiens		valine aspartyl ketone 31
JPEG
((3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-acetyl-2-m...)		1600n/an/a130.0n/an/a737 more..
Displayed 1 to 50 (of 112 total )  |  Next  |  Last  >>
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