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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'mcconnell' and Initial = 'rm'   
Target/Host
(Institution)
LigandTarget/Host
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
Pepsin A


(Porcine)
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 |r|
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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0n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012623
PNG
(3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzy...)
Show SMILES CC(C)CC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-15(2)12-19(20(30)13-21(31)32)27-24(33)22(16(3)4)28-25(34)23(17(5)6)29-26(35)36-14-18-10-8-7-9-11-18/h7-11,15-17,19-20,22-23,30H,12-14H2,1-6H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23-/m0/s1
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0n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012624
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C(O)CC(O)=O)c1ccccc1
Show InChI InChI=1S/C28H37N3O7/c1-17(2)23(26(35)30-25(21(32)15-22(33)34)20-13-9-6-10-14-20)29-27(36)24(18(3)4)31-28(37)38-16-19-11-7-5-8-12-19/h5-14,17-18,21,23-25,32H,15-16H2,1-4H3,(H,29,36)(H,30,35)(H,31,37)(H,33,34)/t21?,23-,24-,25?/m0/s1
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0n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012626
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-6-7-13-19(20(30)14-21(31)32)27-24(33)22(16(2)3)28-25(34)23(17(4)5)29-26(35)36-15-18-11-9-8-10-12-18/h8-12,16-17,19-20,22-23,30H,6-7,13-15H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23-/m0/s1
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0n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012622
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-6-7-13-19(20(30)14-21(31)32)27-24(33)22(16(2)3)28-25(34)23(17(4)5)29-26(35)36-15-18-11-9-8-10-12-18/h8-12,16-17,19-20,22-23,30H,6-7,13-15H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23+/m0/s1
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0.0180n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012618
PNG
(3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzy...)
Show SMILES CC(C)CC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-15(2)12-19(20(30)13-21(31)32)27-24(33)22(16(3)4)28-25(34)23(17(5)6)29-26(35)36-14-18-10-8-7-9-11-18/h7-11,15-17,19-20,22-23,30H,12-14H2,1-6H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23+/m0/s1
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0.0390n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012621
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C(O)CC(O)=O)c1ccccc1
Show InChI InChI=1S/C28H37N3O7/c1-17(2)23(26(35)30-25(21(32)15-22(33)34)20-13-9-6-10-14-20)29-27(36)24(18(3)4)31-28(37)38-16-19-11-7-5-8-12-19/h5-14,17-18,21,23-25,32H,15-16H2,1-4H3,(H,29,36)(H,30,35)(H,31,37)(H,33,34)/t21?,23-,24+,25?/m0/s1
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0.346n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012620
PNG
(3-hydroxy-4-(4-hydroxyphenyl)-4-[2-methyl-1-[2-met...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C(O)CC(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H37N3O8/c1-16(2)23(26(36)30-25(21(33)14-22(34)35)19-10-12-20(32)13-11-19)29-27(37)24(17(3)4)31-28(38)39-15-18-8-6-5-7-9-18/h5-13,16-17,21,23-25,32-33H,14-15H2,1-4H3,(H,29,37)(H,30,36)(H,31,38)(H,34,35)/t21?,23-,24-,25?/m0/s1
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1.13n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012619
PNG
(3-hydroxy-4-(4-hydroxyphenyl)-4-[2-methyl-1-[2-met...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C(O)CC(O)=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H37N3O8/c1-16(2)23(26(36)30-25(21(33)14-22(34)35)19-10-12-20(32)13-11-19)29-27(37)24(17(3)4)31-28(38)39-15-18-8-6-5-7-9-18/h5-13,16-17,21,23-25,32-33H,14-15H2,1-4H3,(H,29,37)(H,30,36)(H,31,38)(H,34,35)/t21?,23-,24+,25?/m0/s1
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1.54n/an/an/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
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 |r|
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 7n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012626
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-6-7-13-19(20(30)14-21(31)32)27-24(33)22(16(2)3)28-25(34)23(17(4)5)29-26(35)36-15-18-11-9-8-10-12-18/h8-12,16-17,19-20,22-23,30H,6-7,13-15H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046899
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C23H36N4O4/c1-16(2)13-20(25-17(3)29)23(31)27-21(14-18-9-5-4-6-10-18)22(30)26-19(15-28)11-7-8-12-24/h4-6,9-10,15-16,19-21H,7-8,11-14,24H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012623
PNG
(3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzy...)
Show SMILES CC(C)CC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-15(2)12-19(20(30)13-21(31)32)27-24(33)22(16(3)4)28-25(34)23(17(5)6)29-26(35)36-14-18-10-8-7-9-11-18/h7-11,15-17,19-20,22-23,30H,12-14H2,1-6H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
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 310n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pepsin A


(Porcine)
BDBM50012624
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C(O)CC(O)=O)c1ccccc1
Show InChI InChI=1S/C28H37N3O7/c1-17(2)23(26(35)30-25(21(32)15-22(33)34)20-13-9-6-10-14-20)29-27(36)24(18(3)4)31-28(37)38-16-19-11-7-5-8-12-19/h5-14,17-18,21,23-25,32H,15-16H2,1-4H3,(H,29,36)(H,30,35)(H,31,37)(H,33,34)/t21?,23-,24-,25?/m0/s1
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n/an/a 420n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50046896
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(27-16(3)31)22(33)29-20(13-17-8-5-4-6-9-17)21(32)28-18(14-30)10-7-11-26-23(24)25/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
BDBM50046896
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(27-16(3)31)22(33)29-20(13-17-8-5-4-6-9-17)21(32)28-18(14-30)10-7-11-26-23(24)25/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50046896
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(27-16(3)31)22(33)29-20(13-17-8-5-4-6-9-17)21(32)28-18(14-30)10-7-11-26-23(24)25/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046896
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(27-16(3)31)22(33)29-20(13-17-8-5-4-6-9-17)21(32)28-18(14-30)10-7-11-26-23(24)25/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50046887
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-4-methyl...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(21(32)28-18(14-30)10-7-11-26-23(24)25)29-22(33)20(27-16(3)31)13-17-8-5-4-6-9-17/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of trypsin with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50046887
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-4-methyl...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(21(32)28-18(14-30)10-7-11-26-23(24)25)29-22(33)20(27-16(3)31)13-17-8-5-4-6-9-17/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50046887
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-4-methyl...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(21(32)28-18(14-30)10-7-11-26-23(24)25)29-22(33)20(27-16(3)31)13-17-8-5-4-6-9-17/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046887
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-4-methyl...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(21(32)28-18(14-30)10-7-11-26-23(24)25)29-22(33)20(27-16(3)31)13-17-8-5-4-6-9-17/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
BDBM50046887
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-4-methyl...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C23H36N6O4/c1-15(2)12-19(21(32)28-18(14-30)10-7-11-26-23(24)25)29-22(33)20(27-16(3)31)13-17-8-5-4-6-9-17/h4-6,8-9,14-15,18-20H,7,10-13H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)(H4,24,25,26)/t18-,19-,20-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046888
PNG
(2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-p...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C20H38N4O4/c1-6-14(4)18(22-15(5)26)20(28)24-17(11-13(2)3)19(27)23-16(12-25)9-7-8-10-21/h12-14,16-18H,6-11,21H2,1-5H3,(H,22,26)(H,23,27)(H,24,28)/t14-,16-,17-,18-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
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 3.70E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50013004
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
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)=O)C=O |r|
Show InChI InChI=1S/C20H37N5O5/c1-12(2)9-16(23-14(5)27)19(29)25-17(10-13(3)4)18(28)24-15(11-26)7-6-8-22-20(21)30/h11-13,15-17H,6-10H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)(H3,21,22,30)/t15-,16-,17-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Med Chem 33: 86-93 (1990)


BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50013004
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl...)
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)=O)C=O |r|
Show InChI InChI=1S/C20H37N5O5/c1-12(2)9-16(23-14(5)27)19(29)25-17(10-13(3)4)18(28)24-15(11-26)7-6-8-22-20(21)30/h11-13,15-17H,6-10H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)(H3,21,22,30)/t15-,16-,17-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trypsin


J Med Chem 33: 86-93 (1990)


BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
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 8.10E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of trypsin with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50013003
PNG
(CHEMBL3143639 | {1-[1-(5-Amino-1-formyl-pentylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C29H40N4O5/c1-21(2)17-25(27(35)31-24(19-34)15-9-10-16-30)32-28(36)26(18-22-11-5-3-6-12-22)33-29(37)38-20-23-13-7-4-8-14-23/h3-8,11-14,19,21,24-26H,9-10,15-18,20,30H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Med Chem 33: 86-93 (1990)


BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50228472
PNG
(CHEMBL3143648)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C29H40N6O5/c1-20(2)16-24(26(37)33-23(18-36)14-9-15-32-28(30)31)34-27(38)25(17-21-10-5-3-6-11-21)35-29(39)40-19-22-12-7-4-8-13-22/h3-8,10-13,18,20,23-25H,9,14-17,19H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)(H4,30,31,32)/t23-,24-,25-/m0/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Med Chem 33: 86-93 (1990)


BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50013008
PNG
(CHEMBL2371651 | {1-[1-(1-Formyl-4-guanidino-butylc...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C25H40N6O5/c1-16(2)13-20(30-25(35)36-15-18-9-6-5-7-10-18)22(33)31-21(17(3)4)23(34)29-19(14-32)11-8-12-28-24(26)27/h5-7,9-10,14,16-17,19-21H,8,11-13,15H2,1-4H3,(H,29,34)(H,30,35)(H,31,33)(H4,26,27,28)/t19-,20-,21-/m0/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of Kallikrein proteolytic enzyme


J Med Chem 33: 86-93 (1990)


BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50013001
PNG
(CHEMBL3143646 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C28H38N4O5/c1-20(2)16-24(26(34)30-23(18-33)14-9-15-29)31-27(35)25(17-21-10-5-3-6-11-21)32-28(36)37-19-22-12-7-4-8-13-22/h3-8,10-13,18,20,23-25H,9,14-17,19,29H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)
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n/an/a 1.18E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of Kallikrein proteolytic enzyme


J Med Chem 33: 86-93 (1990)


BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50046885
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-N-(1-for...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C22H34N6O4/c1-14(2)19(21(32)27-17(13-29)10-7-11-25-22(23)24)28-20(31)18(26-15(3)30)12-16-8-5-4-6-9-16/h4-6,8-9,13-14,17-19H,7,10-12H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)(H4,23,24,25)/t17-,18-,19-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
BDBM50046885
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-N-(1-for...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C22H34N6O4/c1-14(2)19(21(32)27-17(13-29)10-7-11-25-22(23)24)28-20(31)18(26-15(3)30)12-16-8-5-4-6-9-16/h4-6,8-9,13-14,17-19H,7,10-12H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)(H4,23,24,25)/t17-,18-,19-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
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 1.20E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50046885
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-N-(1-for...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C22H34N6O4/c1-14(2)19(21(32)27-17(13-29)10-7-11-25-22(23)24)28-20(31)18(26-15(3)30)12-16-8-5-4-6-9-16/h4-6,8-9,13-14,17-19H,7,10-12H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)(H4,23,24,25)/t17-,18-,19-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of trypsin with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50046885
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-N-(1-for...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C22H34N6O4/c1-14(2)19(21(32)27-17(13-29)10-7-11-25-22(23)24)28-20(31)18(26-15(3)30)12-16-8-5-4-6-9-16/h4-6,8-9,13-14,17-19H,7,10-12H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)(H4,23,24,25)/t17-,18-,19-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046885
PNG
(2-(2-Acetylamino-3-phenyl-propionylamino)-N-(1-for...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C22H34N6O4/c1-14(2)19(21(32)27-17(13-29)10-7-11-25-22(23)24)28-20(31)18(26-15(3)30)12-16-8-5-4-6-9-16/h4-6,8-9,13-14,17-19H,7,10-12H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)(H4,23,24,25)/t17-,18-,19-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
BDBM50046890
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C19H36N4O4/c1-12(2)10-16(21-14(5)25)18(26)23-17(13(3)4)19(27)22-15(11-24)8-6-7-9-20/h11-13,15-17H,6-10,20H2,1-5H3,(H,21,25)(H,22,27)(H,23,26)/t15-,16-,17-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046890
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C19H36N4O4/c1-12(2)10-16(21-14(5)25)18(26)23-17(13(3)4)19(27)22-15(11-24)8-6-7-9-20/h11-13,15-17H,6-10,20H2,1-5H3,(H,21,25)(H,22,27)(H,23,26)/t15-,16-,17-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50046890
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C19H36N4O4/c1-12(2)10-16(21-14(5)25)18(26)23-17(13(3)4)19(27)22-15(11-24)8-6-7-9-20/h11-13,15-17H,6-10,20H2,1-5H3,(H,21,25)(H,22,27)(H,23,26)/t15-,16-,17-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of trypsin with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50046890
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C19H36N4O4/c1-12(2)10-16(21-14(5)25)18(26)23-17(13(3)4)19(27)22-15(11-24)8-6-7-9-20/h11-13,15-17H,6-10,20H2,1-5H3,(H,21,25)(H,22,27)(H,23,26)/t15-,16-,17-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50012998
PNG
(CHEMBL2371625 | {1-[1-(5-Amino-1-formyl-pentylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C25H40N4O5/c1-17(2)14-21(28-25(33)34-16-19-10-6-5-7-11-19)23(31)29-22(18(3)4)24(32)27-20(15-30)12-8-9-13-26/h5-7,10-11,15,17-18,20-22H,8-9,12-14,16,26H2,1-4H3,(H,27,32)(H,28,33)(H,29,31)/t20-,21-,22-/m0/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of Kallikrein proteolytic enzyme


J Med Chem 33: 86-93 (1990)


BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
BDBM50046888
PNG
(2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-p...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C20H38N4O4/c1-6-14(4)18(22-15(5)26)20(28)24-17(11-13(2)3)19(27)23-16(12-25)9-7-8-10-21/h12-14,16-18H,6-11,21H2,1-5H3,(H,22,26)(H,23,27)(H,24,28)/t14-,16-,17-,18-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50012622
PNG
(3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarbo...)
Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O
Show InChI InChI=1S/C26H41N3O7/c1-6-7-13-19(20(30)14-21(31)32)27-24(33)22(16(2)3)28-25(34)23(17(4)5)29-26(35)36-15-18-11-9-8-10-12-18/h8-12,16-17,19-20,22-23,30H,6-7,13-15H2,1-5H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23+/m0/s1
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n/an/a 1.77E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.


J Med Chem 34: 2298-300 (1991)


BindingDB Entry DOI: 10.7270/Q28G8JPJ
More data for this
Ligand-Target Pair
Plasminogen


(Bos taurus)
BDBM50046898
PNG
(2-Acetylamino-4-methyl-pentanoic acid [1-(5-amino-...)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C20H38N4O4/c1-13(2)10-17(22-15(5)26)20(28)24-18(11-14(3)4)19(27)23-16(12-25)8-6-7-9-21/h12-14,16-18H,6-11,21H2,1-5H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50046891
PNG
(2-(2-Acetylamino-4-methyl-pentanoylamino)-3-methyl...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C20H38N6O4/c1-6-13(4)17(26-18(29)16(10-12(2)3)24-14(5)28)19(30)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,30)(H,26,29)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM50046891
PNG
(2-(2-Acetylamino-4-methyl-pentanoylamino)-3-methyl...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C20H38N6O4/c1-6-13(4)17(26-18(29)16(10-12(2)3)24-14(5)28)19(30)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,30)(H,26,29)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of trypsin with benzoyl-L-arginine ethyl ester as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50046891
PNG
(2-(2-Acetylamino-4-methyl-pentanoylamino)-3-methyl...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C20H38N6O4/c1-6-13(4)17(26-18(29)16(10-12(2)3)24-14(5)28)19(30)25-15(11-27)8-7-9-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,30)(H,26,29)(H4,21,22,23)/t13-,15-,16-,17-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate


J Med Chem 36: 1084-9 (1993)


BindingDB Entry DOI: 10.7270/Q24F1RCR
More data for this
Ligand-Target Pair
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