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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Cysteine protease' AND taxid = 5661   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cysteine protease


(Leishmania donovani)
BDBM50286441
PNG
((S)-2-((S)-2-Acetylamino-4-(S)-methyl-pentanoylami...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C20H38N6O5/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23)/t14-,15-,16-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50183399
PNG
((S)-3-benzyloxy-2-benzyloxycarbonylamino-propionic...)
Show SMILES O=C(N[C@@H](COCc1ccccc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1
Show InChI InChI=1S/C22H22N2O7/c25-19-11-12-20(26)24(19)31-21(27)18(15-29-13-16-7-3-1-4-8-16)23-22(28)30-14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,23,28)/t18-/m0/s1
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n/an/a 2.35E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50183384
PNG
(2-(4-chlorophenylsulfonyl)-N-(2-(phenylsulfonyl)et...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)CC(=O)NCCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO5S2/c17-13-6-8-15(9-7-13)25(22,23)12-16(19)18-10-11-24(20,21)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
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n/an/a 2.49E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50183381
PNG
((S)-benzyl 2-(2-(benzyloxycarbonylamino)acetamido)...)
Show SMILES O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26N2O5/c29-24(17-27-26(31)33-19-22-14-8-3-9-15-22)28-23(16-20-10-4-1-5-11-20)25(30)32-18-21-12-6-2-7-13-21/h1-15,23H,16-19H2,(H,27,31)(H,28,29)/t23-/m0/s1
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n/an/a 3.14E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50183401
PNG
(2-(benzo[d]oxazol-2-ylthio)-N-(2-(furan-2-ylmethyl...)
Show SMILES O=C(CSc1nc2ccccc2o1)NCCSCc1ccco1
Show InChI InChI=1S/C16H16N2O3S2/c19-15(17-7-9-22-10-12-4-3-8-20-12)11-23-16-18-13-5-1-2-6-14(13)21-16/h1-6,8H,7,9-11H2,(H,17,19)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50157739
PNG
(CHEMBL426564 | N'-(2-oxo-1-(2-oxo-2-(phenylamino)e...)
Show SMILES O=C(CN1C(=O)C(=NNC(=O)c2ccncc2)c2ccccc12)Nc1ccccc1
Show InChI InChI=1S/C22H17N5O3/c28-19(24-16-6-2-1-3-7-16)14-27-18-9-5-4-8-17(18)20(22(27)30)25-26-21(29)15-10-12-23-13-11-15/h1-13H,14H2,(H,24,28)(H,26,29)
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n/an/a 6.26E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50157738
PNG
(4-((4-(2,4-dihydroxybenzylideneamino)-3-chlorophen...)
Show SMILES Oc1ccc(\C=N\c2ccc(\N=C\c3ccc(O)cc3O)c(Cl)c2)c(O)c1
Show InChI InChI=1S/C20H15ClN2O4/c21-17-7-14(22-10-12-1-4-15(24)8-19(12)26)3-6-18(17)23-11-13-2-5-16(25)9-20(13)27/h1-11,24-27H/b22-10+,23-11+
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n/an/a 6.53E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50157752
PNG
(2-[2-(4-{[(2-carboxyphenyl)hydrazono]methyl}benzyl...)
Show SMILES OC(=O)c1ccccc1N=NCc1ccc(CN=Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C22H18N4O4/c27-21(28)17-5-1-3-7-19(17)25-23-13-15-9-11-16(12-10-15)14-24-26-20-8-4-2-6-18(20)22(29)30/h1-12H,13-14H2,(H,27,28)(H,29,30)
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n/an/a 7.20E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50157736
PNG
(3-((5-(2,3-dihydroxybenzylideneamino)naphthalen-1-...)
Show SMILES Oc1cccc(\C=N\c2cccc3c(cccc23)\N=C/c2cccc(O)c2O)c1O
Show InChI InChI=1S/C24H18N2O4/c27-21-11-1-5-15(23(21)29)13-25-19-9-3-8-18-17(19)7-4-10-20(18)26-14-16-6-2-12-22(28)24(16)30/h1-14,27-30H/b25-13-,26-14+
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n/an/a 1.13E+5n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Leishmania donovani)
BDBM50157758
PNG
(CHEMBL224915 | N'-(2-oxoindolin-3-ylidene)-2-(5-ph...)
Show SMILES O=C(Cn1nnc(n1)-c1ccccc1)NN=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H13N7O2/c25-14(10-24-22-16(21-23-24)11-6-2-1-3-7-11)19-20-15-12-8-4-5-9-13(12)18-17(15)26/h1-9H,10H2,(H,19,25)(H,18,20,26)
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of Leishmania donovani cysteine protease


Citation and Details
More data for this
Ligand-Target Pair