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Compile Data Set for Download or QSAR

Found 104 hits of Enz. Inhib. data with enzyme = 'Cathepsin D' and Substrate = 'Peptide Substrate'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin D


(Homo sapiens (human))
BDBM7977
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28-/m0/s1
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PubMed
4.90n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16252
PNG
((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Show SMILES CSC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C
Show InChI InChI=1S/C30H54N6O6S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-43-10)33-30(41)42-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1
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15 -11.1n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Am Chem Soc 128: 5310-1 (2006)


Article DOI: 10.1021/ja058636j
BindingDB Entry DOI: 10.7270/Q26W98BN
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7974
PNG
((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C31H44N6O6/c1-18(2)15-24(28(32)40)36-29(41)20(5)34-26(39)17-25(38)23(16-21-11-7-6-8-12-21)35-31(43)27(19(3)4)37-30(42)22-13-9-10-14-33-22/h6-14,18-20,23-25,27,38H,15-17H2,1-5H3,(H2,32,40)(H,34,39)(H,35,43)(H,36,41)(H,37,42)/t20-,23-,24-,25-,27-/m0/s1
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21n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16251
PNG
((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...)
Show SMILES CSCC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H54N6O6S/c1-21(2)16-28(36-32(43)27(14-15-47-8)37-34(45)46-20-40-25(7)18-24(6)39-40)29(41)17-23(5)31(42)38-30(22(3)4)33(44)35-19-26-12-10-9-11-13-26/h9-13,18,21-23,27-30,41H,14-17,19-20H2,1-8H3,(H,35,44)(H,36,43)(H,37,45)(H,38,42)/t23-,27+,28+,29+,30+/m1/s1
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25 -10.8n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Am Chem Soc 128: 5310-1 (2006)


Article DOI: 10.1021/ja058636j
BindingDB Entry DOI: 10.7270/Q26W98BN
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8015
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)
Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C41H47N5O4/c1-27(2)39(46-38(48)22-21-32-25-43-34-16-10-9-15-33(32)34)41(50)45-35(23-28-11-5-3-6-12-28)37(47)26-44-36(40(42)49)24-29-17-19-31(20-18-29)30-13-7-4-8-14-30/h3-20,25,27,35-37,39,43-44,47H,21-24,26H2,1-2H3,(H2,42,49)(H,45,50)(H,46,48)/t35-,36-,37-,39-/m0/s1
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30n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 110-22 (2004)


Article DOI: 10.1021/jm030933g
BindingDB Entry DOI: 10.7270/Q2RV0KX6
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7991
PNG
((3S,4S)-5-(4-Bromobenzyloxy)-3-hydroxy-4-(2-thioph...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)Cc1cccs1)C(N)=O
Show InChI InChI=1S/C27H37BrN4O6S/c1-16(2)11-21(26(29)36)32-27(37)17(3)30-25(35)13-23(33)22(31-24(34)12-20-5-4-10-39-20)15-38-14-18-6-8-19(28)9-7-18/h4-10,16-17,21-23,33H,11-15H2,1-3H3,(H2,29,36)(H,30,35)(H,31,34)(H,32,37)/t17-,21-,22-,23-/m0/s1
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35n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16259
PNG
(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C
Show InChI InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1
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41 -10.5n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7976
PNG
((3S,4S)-5-(benzyloxy)-N-[(1S)-1-{[(1S)-1-carbamoyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C32H46N6O7/c1-19(2)15-24(29(33)41)36-30(42)21(5)35-27(40)16-26(39)25(18-45-17-22-11-7-6-8-12-22)37-32(44)28(20(3)4)38-31(43)23-13-9-10-14-34-23/h6-14,19-21,24-26,28,39H,15-18H2,1-5H3,(H2,33,41)(H,35,40)(H,36,42)(H,37,44)(H,38,43)/t21-,24-,25-,26-,28-/m0/s1
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41n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7986
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C32H45BrN6O7/c1-18(2)14-24(29(34)42)37-30(43)20(5)36-27(41)15-26(40)25(17-46-16-21-9-11-22(33)12-10-21)38-32(45)28(19(3)4)39-31(44)23-8-6-7-13-35-23/h6-13,18-20,24-26,28,40H,14-17H2,1-5H3,(H2,34,42)(H,36,41)(H,37,43)(H,38,45)(H,39,44)/t20-,24-,25-,26-,28+/m0/s1
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41n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7989
PNG
((3S,4S)-5-(4-Bromobenzyloxy)-4-diphenylacetylamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)C(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C35H43BrN4O6/c1-22(2)18-28(33(37)43)39-34(44)23(3)38-31(42)19-30(41)29(21-46-20-24-14-16-27(36)17-15-24)40-35(45)32(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-17,22-23,28-30,32,41H,18-21H2,1-3H3,(H2,37,43)(H,38,42)(H,39,44)(H,40,45)/t23-,28-,29-,30-/m0/s1
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52n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8019
PNG
(2-(3-chlorophenoxy)-N-[(2S,3S)-3-hydroxy-4-{N-[2-(...)
Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C33H40ClN3O5/c1-41-28-12-10-24(11-13-28)16-19-37(33(40)26-14-17-35-18-15-26)22-31(38)30(20-25-6-3-2-4-7-25)36-32(39)23-42-29-9-5-8-27(34)21-29/h2-13,21,26,30-31,35,38H,14-20,22-23H2,1H3,(H,36,39)/t30-,31-/m0/s1
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63n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 110-22 (2004)


Article DOI: 10.1021/jm030933g
BindingDB Entry DOI: 10.7270/Q2RV0KX6
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7990
PNG
((3S,4S)-5-(4-Bromobenzyloxy)-4-(3,3-diphenylpropio...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)CC(c1ccccc1)c1ccccc1)C(N)=O
Show InChI InChI=1S/C36H45BrN4O6/c1-23(2)18-30(35(38)45)41-36(46)24(3)39-34(44)20-32(42)31(22-47-21-25-14-16-28(37)17-15-25)40-33(43)19-29(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,23-24,29-32,42H,18-22H2,1-3H3,(H2,38,45)(H,39,44)(H,40,43)(H,41,46)/t24-,30-,31-,32-/m0/s1
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100n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16253
PNG
((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)
Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C
Show InChI InChI=1S/C30H54N6O8S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-45(10,42)43)33-30(41)44-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/t20-,23+,24+,25+,26+/m1/s1
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131 -9.76n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Am Chem Soc 128: 5310-1 (2006)


Article DOI: 10.1021/ja058636j
BindingDB Entry DOI: 10.7270/Q26W98BN
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7981
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-N-[2-...)
Show SMILES COc1cccc(CCNC(=O)C[C@H](O)[C@H](COCc2ccc(Br)cc2)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)c1
Show InChI InChI=1S/C32H39BrN4O6/c1-21(2)30(37-31(40)26-9-4-5-15-34-26)32(41)36-27(20-43-19-23-10-12-24(33)13-11-23)28(38)18-29(39)35-16-14-22-7-6-8-25(17-22)42-3/h4-13,15,17,21,27-28,30,38H,14,16,18-20H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t27-,28-,30-/m0/s1
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140n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8111
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)
Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O
Show InChI InChI=1S/C43H47N5O5/c1-27(2)41(48-40(50)21-20-32-25-45-34-14-8-7-13-33(32)34)43(52)47-35(22-28-10-4-3-5-11-28)37(49)26-46-36(42(44)51)23-29-16-18-30(19-17-29)39-24-31-12-6-9-15-38(31)53-39/h3-19,24-25,27,35-37,41,45-46,49H,20-23,26H2,1-2H3,(H2,44,51)(H,47,52)(H,48,50)/t35-,36-,37-,41-/m0/s1
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180n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7983
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-cyclohexyl-3-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NC1CCCCC1
Show InChI InChI=1S/C29H39BrN4O5/c1-19(2)27(34-28(37)23-10-6-7-15-31-23)29(38)33-24(18-39-17-20-11-13-21(30)14-12-20)25(35)16-26(36)32-22-8-4-3-5-9-22/h6-7,10-15,19,22,24-25,27,35H,3-5,8-9,16-18H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)/t24-,25-,27-/m0/s1
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217n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16257
PNG
(1-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-N-[(1...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C
Show InChI InChI=1S/C34H54N6O8S/c1-18(2)12-27(29(41)13-21(7)31(42)39-30(19(3)4)34(45)36-20(5)6)38-33(44)25-14-24(15-26(16-25)40(10)49(11,46)47)32(43)35-17-28-22(8)48-23(9)37-28/h14-16,18-21,27,29-30,41H,12-13,17H2,1-11H3,(H,35,43)(H,36,45)(H,38,44)(H,39,42)/t21-,27+,29+,30+/m1/s1
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245 -9.38n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7982
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-4-[(2...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCCNc1ccccc1
Show InChI InChI=1S/C31H38BrN5O5/c1-21(2)29(37-30(40)25-10-6-7-15-34-25)31(41)36-26(20-42-19-22-11-13-23(32)14-12-22)27(38)18-28(39)35-17-16-33-24-8-4-3-5-9-24/h3-15,21,26-27,29,33,38H,16-20H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t26-,27-,29-/m0/s1
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265n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8109
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...)
Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O
Show InChI InChI=1S/C42H47N5O6/c1-26(2)40(47-39(49)19-17-31-23-44-33-11-7-6-10-32(31)33)42(51)46-34(20-27-8-4-3-5-9-27)36(48)24-45-35(41(43)50)21-28-12-14-29(15-13-28)30-16-18-37-38(22-30)53-25-52-37/h3-16,18,22-23,26,34-36,40,44-45,48H,17,19-21,24-25H2,1-2H3,(H2,43,50)(H,46,51)(H,47,49)/t34-,35-,36-,40-/m0/s1
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280n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8105
PNG
((2E)-3-(3-{4-[(2S)-2-carbamoyl-2-{[(2S,3S)-2-hydro...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(\C=C\C(O)=O)c1)C(N)=O
Show InChI InChI=1S/C39H43N5O6/c1-25(2)36(44-38(49)31-13-6-7-20-41-31)39(50)43-32(22-26-9-4-3-5-10-26)34(45)24-42-33(37(40)48)23-28-14-17-29(18-15-28)30-12-8-11-27(21-30)16-19-35(46)47/h3-21,25,32-34,36,42,45H,22-24H2,1-2H3,(H2,40,48)(H,43,50)(H,44,49)(H,46,47)/b19-16+/t32-,33-,34-,36-/m0/s1
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300n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16254
PNG
((2,5-dimethyl-1,3-oxazol-4-yl)methyl N-[(1R)-1-{[(...)
Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)C(C)C
Show InChI InChI=1S/C30H53N5O9S/c1-16(2)11-22(25(36)12-19(7)27(37)35-26(18(5)6)29(39)31-13-17(3)4)33-28(38)24(15-45(10,41)42)34-30(40)43-14-23-20(8)44-21(9)32-23/h16-19,22,24-26,36H,11-15H2,1-10H3,(H,31,39)(H,33,38)(H,34,40)(H,35,37)/t19-,22+,24+,25+,26+/m1/s1
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304 -9.24n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Am Chem Soc 128: 5310-1 (2006)


Article DOI: 10.1021/ja058636j
BindingDB Entry DOI: 10.7270/Q26W98BN
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8018
PNG
((3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[(2S,3S)-3-me...)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)CC
Show InChI InChI=1S/C30H45N3O4/c1-6-8-15-31-27(35)19-26(34)25(16-20(3)4)32-30(37)29(21(5)7-2)33-28(36)18-22-13-14-23-11-9-10-12-24(23)17-22/h9-14,17,20-21,25-26,29,34H,6-8,15-16,18-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t21?,25-,26-,29-/m0/s1
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320n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 110-22 (2004)


Article DOI: 10.1021/jm030933g
BindingDB Entry DOI: 10.7270/Q2RV0KX6
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7993
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H]1Cc2ccccc2N1)C(N)=O
Show InChI InChI=1S/C30H40BrN5O6/c1-17(2)12-23(28(32)39)35-29(40)18(3)33-27(38)14-26(37)25(16-42-15-19-8-10-21(31)11-9-19)36-30(41)24-13-20-6-4-5-7-22(20)34-24/h4-11,17-18,23-26,34,37H,12-16H2,1-3H3,(H2,32,39)(H,33,38)(H,35,40)(H,36,41)/t18-,23-,24-,25-,26-/m0/s1
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322n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16034
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
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448 -9.00n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7978
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-3-hydroxy-4-[(2...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCCCc1ccccc1
Show InChI InChI=1S/C32H39BrN4O5/c1-22(2)30(37-31(40)26-12-6-7-17-34-26)32(41)36-27(21-42-20-24-13-15-25(33)16-14-24)28(38)19-29(39)35-18-8-11-23-9-4-3-5-10-23/h3-7,9-10,12-17,22,27-28,30,38H,8,11,18-21H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t27-,28-,30-/m0/s1
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459n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7985
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-butyl-3-hydro...)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C
Show InChI InChI=1S/C27H37BrN4O5/c1-4-5-13-30-24(34)15-23(33)22(17-37-16-19-9-11-20(28)12-10-19)31-27(36)25(18(2)3)32-26(35)21-8-6-7-14-29-21/h6-12,14,18,22-23,25,33H,4-5,13,15-17H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/t22-,23-,25-/m0/s1
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473n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16256
PNG
(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Show SMILES CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)N(C)S(C)(=O)=O
Show InChI InChI=1S/C31H53N5O7S/c1-11-12-32-29(39)22-15-23(17-24(16-22)36(9)44(10,42)43)30(40)34-25(13-18(2)3)26(37)14-21(8)28(38)35-27(19(4)5)31(41)33-20(6)7/h15-21,25-27,37H,11-14H2,1-10H3,(H,32,39)(H,33,41)(H,34,40)(H,35,38)/t21-,25+,26+,27+/m1/s1
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483 -8.96n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16262
PNG
(1-N-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-3-N-[(...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NC(C)c1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C
Show InChI InChI=1S/C35H56N6O8S/c1-18(2)13-28(29(42)14-21(7)32(43)40-30(19(3)4)35(46)36-20(5)6)39-34(45)26-15-25(16-27(17-26)41(11)50(12,47)48)33(44)37-22(8)31-23(9)49-24(10)38-31/h15-22,28-30,42H,13-14H2,1-12H3,(H,36,46)(H,37,44)(H,39,45)(H,40,43)/t21-,22?,28+,29+,30+/m1/s1
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490 -8.95n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8084
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)
Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O
Show InChI InChI=1S/C35H42BrN5O4/c1-22(2)33(41-32(43)17-14-25-20-38-28-11-7-6-10-27(25)28)35(45)40-29(18-23-8-4-3-5-9-23)31(42)21-39-30(34(37)44)19-24-12-15-26(36)16-13-24/h3-13,15-16,20,22,29-31,33,38-39,42H,14,17-19,21H2,1-2H3,(H2,37,44)(H,40,45)(H,41,43)/t29-,30-,31-,33-/m0/s1
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500n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8113
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O
Show InChI InChI=1S/C45H50N6O5/c1-4-13-38-35(27-48-51(38)34-17-9-6-10-18-34)44(54)50-42(29(2)3)45(55)49-36(24-30-14-7-5-8-15-30)39(52)28-47-37(43(46)53)25-31-20-22-32(23-21-31)41-26-33-16-11-12-19-40(33)56-41/h5-12,14-23,26-27,29,36-37,39,42,47,52H,4,13,24-25,28H2,1-3H3,(H2,46,53)(H,49,55)(H,50,54)/t36-,37-,39-,42-/m0/s1
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570n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8098
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)
Show SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2ccccc2)C(N)=O)c1OC
Show InChI InChI=1S/C39H46N4O6/c1-25(2)35(43-38(46)30-16-11-17-34(48-3)36(30)49-4)39(47)42-31(22-26-12-7-5-8-13-26)33(44)24-41-32(37(40)45)23-27-18-20-29(21-19-27)28-14-9-6-10-15-28/h5-21,25,31-33,35,41,44H,22-24H2,1-4H3,(H2,40,45)(H,42,47)(H,43,46)/t31-,32-,33-,35-/m0/s1
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570n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7979
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-(cyclohexylme...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCC1CCCCC1
Show InChI InChI=1S/C30H41BrN4O5/c1-20(2)28(35-29(38)24-10-6-7-15-32-24)30(39)34-25(19-40-18-22-11-13-23(31)14-12-22)26(36)16-27(37)33-17-21-8-4-3-5-9-21/h6-7,10-15,20-21,25-26,28,36H,3-5,8-9,16-19H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)/t25-,26-,28-/m0/s1
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586n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7984
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(4-cyanophen...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C31H34BrN5O5/c1-20(2)29(37-30(40)25-5-3-4-14-34-25)31(41)36-26(19-42-18-23-10-12-24(32)13-11-23)27(38)15-28(39)35-17-22-8-6-21(16-33)7-9-22/h3-14,20,26-27,29,38H,15,17-19H2,1-2H3,(H,35,39)(H,36,41)(H,37,40)/t26-,27-,29-/m0/s1
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623n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM16261
PNG
(1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C
Show InChI InChI=1S/C36H55N5O8S/c1-21(2)15-29(31(43)16-24(7)33(44)40-32(22(3)4)36(47)37-23(5)6)38-34(45)26-17-27(19-28(18-26)41(8)50(9,48)49)35(46)39-30(20-42)25-13-11-10-12-14-25/h10-14,17-19,21-24,29-32,42-43H,15-16,20H2,1-9H3,(H,37,47)(H,38,45)(H,39,46)(H,40,44)/t24-,29+,30-,31+,32+/m1/s1
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633 -8.79n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 50: 2399-407 (2007)


Article DOI: 10.1021/jm061338s
BindingDB Entry DOI: 10.7270/Q2348HNP
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8088
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O
Show InChI InChI=1S/C31H36BrF3N4O5/c1-17(2)26(39-29(42)22-13-18(3)44-27(22)31(33,34)35)30(43)38-23(14-19-7-5-4-6-8-19)25(40)16-37-24(28(36)41)15-20-9-11-21(32)12-10-20/h4-13,17,23-26,37,40H,14-16H2,1-3H3,(H2,36,41)(H,38,43)(H,39,42)/t23-,24-,25-,26-/m0/s1
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640n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8086
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-(4-bromophenyl)-1-carba...)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O
Show InChI InChI=1S/C37H45BrN6O4/c1-4-11-32-29(22-41-44(32)28-14-9-6-10-15-28)36(47)43-34(24(2)3)37(48)42-30(20-25-12-7-5-8-13-25)33(45)23-40-31(35(39)46)21-26-16-18-27(38)19-17-26/h5-10,12-19,22,24,30-31,33-34,40,45H,4,11,20-21,23H2,1-3H3,(H2,39,46)(H,42,48)(H,43,47)/t30-,31-,33-,34-/m0/s1
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920n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7975
PNG
((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
Show InChI InChI=1S/C32H46N6O6/c1-19(2)17-25(29(33)41)37-30(42)21(5)35-27(40)18-26(39)23(15-14-22-11-7-6-8-12-22)36-32(44)28(20(3)4)38-31(43)24-13-9-10-16-34-24/h6-13,16,19-21,23,25-26,28,39H,14-15,17-18H2,1-5H3,(H2,33,41)(H,35,40)(H,36,44)(H,37,42)(H,38,43)/t21-,23-,25-,26-,28-/m0/s1
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980n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8028
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(3-aminophenyl)pheny...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(N)c1)C(N)=O
Show InChI InChI=1S/C36H42N6O4/c1-23(2)33(42-35(45)29-13-6-7-18-39-29)36(46)41-30(19-24-9-4-3-5-10-24)32(43)22-40-31(34(38)44)20-25-14-16-26(17-15-25)27-11-8-12-28(37)21-27/h3-18,21,23,30-33,40,43H,19-20,22,37H2,1-2H3,(H2,38,44)(H,41,46)(H,42,45)/t30-,31-,32-,33-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8115
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)
Show SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2cc3ccccc3o2)C(N)=O)c1OC
Show InChI InChI=1S/C41H46N4O7/c1-25(2)37(45-40(48)30-14-10-16-35(50-3)38(30)51-4)41(49)44-31(21-26-11-6-5-7-12-26)33(46)24-43-32(39(42)47)22-27-17-19-28(20-18-27)36-23-29-13-8-9-15-34(29)52-36/h5-20,23,25,31-33,37,43,46H,21-22,24H2,1-4H3,(H2,42,47)(H,44,49)(H,45,48)/t31-,32-,33-,37-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8112
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)
Show SMILES CC(C)[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O
Show InChI InChI=1S/C37H40N4O6/c1-23(2)34(41-36(44)28-16-17-46-22-28)37(45)40-29(18-24-8-4-3-5-9-24)31(42)21-39-30(35(38)43)19-25-12-14-26(15-13-25)33-20-27-10-6-7-11-32(27)47-33/h3-17,20,22-23,29-31,34,39,42H,18-19,21H2,1-2H3,(H2,38,43)(H,40,45)(H,41,44)/t29-,30-,31-,34-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8110
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)
Show SMILES CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O
Show InChI InChI=1S/C39H48N4O5/c1-25(2)36(43-38(46)29-13-7-4-8-14-29)39(47)42-31(21-26-11-5-3-6-12-26)33(44)24-41-32(37(40)45)22-27-17-19-28(20-18-27)35-23-30-15-9-10-16-34(30)48-35/h3,5-6,9-12,15-20,23,25,29,31-33,36,41,44H,4,7-8,13-14,21-22,24H2,1-2H3,(H2,40,45)(H,42,47)(H,43,46)/t31-,32-,33-,36-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8102
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O
Show InChI InChI=1S/C38H41N5O5/c1-24(2)35(43-37(46)29-13-8-9-19-40-29)38(47)42-30(20-25-10-4-3-5-11-25)32(44)23-41-31(36(39)45)21-26-15-17-27(18-16-26)34-22-28-12-6-7-14-33(28)48-34/h3-19,22,24,30-32,35,41,44H,20-21,23H2,1-2H3,(H2,39,45)(H,42,47)(H,43,46)/t30-,31-,32-,35-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8099
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)
Show SMILES CC(C)[C@H](NC(=O)\C=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C39H39F5N4O4/c1-22(2)37(48-31(50)18-17-27-32(40)34(42)36(44)35(43)33(27)41)39(52)47-28(19-23-9-5-3-6-10-23)30(49)21-46-29(38(45)51)20-24-13-15-26(16-14-24)25-11-7-4-8-12-25/h3-18,22,28-30,37,46,49H,19-21H2,1-2H3,(H2,45,51)(H,47,52)(H,48,50)/b18-17+/t28-,29-,30-,37-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8033
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(3-phenylph...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1cccc(c1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C36H41N5O4/c1-24(2)33(41-35(44)29-18-9-10-19-38-29)36(45)40-30(21-25-12-5-3-6-13-25)32(42)23-39-31(34(37)43)22-26-14-11-17-28(20-26)27-15-7-4-8-16-27/h3-20,24,30-33,39,42H,21-23H2,1-2H3,(H2,37,43)(H,40,45)(H,41,44)/t30-,31-,32-,33-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8031
PNG
((2S,5S,6R)-3-Aza-5-hydroxy-7-phenyl-6-[(picolyl-L-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)C(N)=O
Show InChI InChI=1S/C31H36F3N5O7S/c1-19(2)27(39-29(42)23-13-6-7-14-36-23)30(43)38-24(16-20-9-4-3-5-10-20)26(40)18-37-25(28(35)41)17-21-11-8-12-22(15-21)46-47(44,45)31(32,33)34/h3-15,19,24-27,37,40H,16-18H2,1-2H3,(H2,35,41)(H,38,43)(H,39,42)/t24-,25-,26-,27-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8029
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(2-metho...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)C(N)=O)cc1
Show InChI InChI=1S/C37H43N5O5/c1-24(2)34(42-36(45)29-14-9-10-20-39-29)37(46)41-30(21-25-11-5-4-6-12-25)32(43)23-40-31(35(38)44)22-26-16-18-27(19-17-26)28-13-7-8-15-33(28)47-3/h4-20,24,30-32,34,40,43H,21-23H2,1-3H3,(H2,38,44)(H,41,46)(H,42,45)/t30-,31-,32-,34-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8027
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(4-methy...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C37H43N5O4/c1-24(2)34(42-36(45)30-11-7-8-20-39-30)37(46)41-31(21-26-9-5-4-6-10-26)33(43)23-40-32(35(38)44)22-27-14-18-29(19-15-27)28-16-12-25(3)13-17-28/h4-20,24,31-34,40,43H,21-23H2,1-3H3,(H2,38,44)(H,41,46)(H,42,45)/t31-,32-,33-,34-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8095
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-(4-phenylph...)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C43H50N6O4/c1-4-14-38-35(27-46-49(38)34-19-12-7-13-20-34)42(52)48-40(29(2)3)43(53)47-36(25-30-15-8-5-9-16-30)39(50)28-45-37(41(44)51)26-31-21-23-33(24-22-31)32-17-10-6-11-18-32/h5-13,15-24,27,29,36-37,39-40,45,50H,4,14,25-26,28H2,1-3H3,(H2,44,51)(H,47,53)(H,48,52)/t36-,37-,39-,40-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM8114
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O
Show InChI InChI=1S/C39H41F3N4O6/c1-22(2)34(46-37(49)28-17-23(3)51-35(28)39(40,41)42)38(50)45-29(18-24-9-5-4-6-10-24)31(47)21-44-30(36(43)48)19-25-13-15-26(16-14-25)33-20-27-11-7-8-12-32(27)52-33/h4-17,20,22,29-31,34,44,47H,18-19,21H2,1-3H3,(H2,43,48)(H,45,50)(H,46,49)/t29-,30-,31-,34-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM7987
PNG
((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1ccc(Cl)c(Cl)c1)C(N)=O
Show InChI InChI=1S/C28H35BrCl2N4O6/c1-15(2)10-22(26(32)38)34-27(39)16(3)33-25(37)12-24(36)23(14-41-13-17-4-7-19(29)8-5-17)35-28(40)18-6-9-20(30)21(31)11-18/h4-9,11,15-16,22-24,36H,10,12-14H2,1-3H3,(H2,32,38)(H,33,37)(H,34,39)(H,35,40)/t16-,22-,23-,24-/m0/s1
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1.81E+3n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair
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