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PubMed code 2136920

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
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
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
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
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
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
Kallikrein-1


(Homo sapiens (Human))		BDBM50013007
PNG
(CHEMBL2371644 | {1-[1-(5-Amino-1-formyl-pentylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C26H42N4O5/c1-18(2)14-22(24(32)28-21(16-31)12-8-9-13-27)29-25(33)23(15-19(3)4)30-26(34)35-17-20-10-6-5-7-11-20/h5-7,10-11,16,18-19,21-23H,8-9,12-15,17,27H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)/t21-,22-,23-/m0/s1
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n/an/a 1.90E+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))		BDBM50013006
PNG
(CHEMBL3143642 | {1-[1-(5-Amino-1-formyl-pentylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C29H40N4O5/c1-21(2)17-25(33-29(37)38-20-23-13-7-4-8-14-23)28(36)32-26(18-22-11-5-3-6-12-22)27(35)31-24(19-34)15-9-10-16-30/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 2.03E+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))		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 2.56E+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))		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 2.57E+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))		BDBM50012999
PNG
(CHEMBL2371642 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C25H40N4O5/c1-17(2)13-21(23(31)27-20(15-30)11-8-12-26)28-24(32)22(14-18(3)4)29-25(33)34-16-19-9-6-5-7-10-19/h5-7,9-10,15,17-18,20-22H,8,11-14,16,26H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t20-,21-,22-/m0/s1
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n/an/a 2.93E+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))		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 3.24E+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))		BDBM50228474
PNG
(CHEMBL3143649)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#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/C29H40N6O5/c1-20(2)16-24(35-29(39)40-19-22-12-7-4-8-13-22)27(38)34-25(17-21-10-5-3-6-11-21)26(37)33-23(18-36)14-9-15-32-28(30)31/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 3.33E+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))		BDBM50228473
PNG
(CHEMBL3143647)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C26H42N6O5/c1-17(2)13-21(23(34)30-20(15-33)11-8-12-29-25(27)28)31-24(35)22(14-18(3)4)32-26(36)37-16-19-9-6-5-7-10-19/h5-7,9-10,15,17-18,20-22H,8,11-14,16H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)(H4,27,28,29)/t20-,21-,22-/m0/s1
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n/an/a 3.60E+4n/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


(Homo sapiens (Human))		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 4.59E+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


(Rattus norvegicus)		BDBM50013006
PNG
(CHEMBL3143642 | {1-[1-(5-Amino-1-formyl-pentylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C29H40N4O5/c1-21(2)17-25(33-29(37)38-20-23-13-7-4-8-14-23)28(36)32-26(18-22-11-5-3-6-12-22)27(35)31-24(19-34)15-9-10-16-30/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 4.70E+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))		BDBM50012996
PNG
(CHEMBL2371655 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C24H38N4O5/c1-16(2)13-20(27-24(32)33-15-18-9-6-5-7-10-18)22(30)28-21(17(3)4)23(31)26-19(14-29)11-8-12-25/h5-7,9-10,14,16-17,19-21H,8,11-13,15,25H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1
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n/an/a 5.38E+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


(Rattus norvegicus)		BDBM50228474
PNG
(CHEMBL3143649)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#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/C29H40N6O5/c1-20(2)16-24(35-29(39)40-19-22-12-7-4-8-13-22)27(38)34-25(17-21-10-5-3-6-11-21)26(37)33-23(18-36)14-9-15-32-28(30)31/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 7.99E+4n/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
Plasminogen


(Rattus norvegicus)		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 8.14E+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
Serine protease 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 8.14E+4n/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
Kallikrein-1


(Homo sapiens (Human))		BDBM50013002
PNG
(CHEMBL3143643 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C28H38N4O5/c1-20(2)16-24(32-28(36)37-19-22-12-7-4-8-13-22)27(35)31-25(17-21-10-5-3-6-11-21)26(34)30-23(18-33)14-9-15-29/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 8.24E+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
Serine protease 1


(Homo sapiens (Human))		BDBM50228474
PNG
(CHEMBL3143649)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#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/C29H40N6O5/c1-20(2)16-24(35-29(39)40-19-22-12-7-4-8-13-22)27(38)34-25(17-21-10-5-3-6-11-21)26(37)33-23(18-36)14-9-15-32-28(30)31/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 1.07E+5n/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


(Rattus norvegicus)		BDBM50228473
PNG
(CHEMBL3143647)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C26H42N6O5/c1-17(2)13-21(23(34)30-20(15-33)11-8-12-29-25(27)28)31-24(35)22(14-18(3)4)32-26(36)37-16-19-9-6-5-7-10-19/h5-7,9-10,15,17-18,20-22H,8,11-14,16H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)(H4,27,28,29)/t20-,21-,22-/m0/s1
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n/an/a 1.28E+5n/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))		BDBM50228473
PNG
(CHEMBL3143647)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C26H42N6O5/c1-17(2)13-21(23(34)30-20(15-33)11-8-12-29-25(27)28)31-24(35)22(14-18(3)4)32-26(36)37-16-19-9-6-5-7-10-19/h5-7,9-10,15,17-18,20-22H,8,11-14,16H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)(H4,27,28,29)/t20-,21-,22-/m0/s1
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n/an/a 1.64E+5n/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
Plasminogen


(Rattus norvegicus)		BDBM50013007
PNG
(CHEMBL2371644 | {1-[1-(5-Amino-1-formyl-pentylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C26H42N4O5/c1-18(2)14-22(24(32)28-21(16-31)12-8-9-13-27)29-25(33)23(15-19(3)4)30-26(34)35-17-20-10-6-5-7-11-20/h5-7,10-11,16,18-19,21-23H,8-9,12-15,17,27H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)/t21-,22-,23-/m0/s1
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n/an/a 1.84E+5n/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))		BDBM50013007
PNG
(CHEMBL2371644 | {1-[1-(5-Amino-1-formyl-pentylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C26H42N4O5/c1-18(2)14-22(24(32)28-21(16-31)12-8-9-13-27)29-25(33)23(15-19(3)4)30-26(34)35-17-20-10-6-5-7-11-20/h5-7,10-11,16,18-19,21-23H,8-9,12-15,17,27H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)/t21-,22-,23-/m0/s1
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n/an/a 1.96E+5n/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
Plasminogen


(Rattus norvegicus)		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 2.42E+5n/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))		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 4.00E+5n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trypsin.(no inhibition at 400 microM)

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))		BDBM50012999
PNG
(CHEMBL2371642 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C25H40N4O5/c1-17(2)13-21(23(31)27-20(15-30)11-8-12-26)28-24(32)22(14-18(3)4)29-25(33)34-16-19-9-6-5-7-10-19/h5-7,9-10,15,17-18,20-22H,8,11-14,16,26H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t20-,21-,22-/m0/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trypsin.(no inhibition at 400 microM)

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))		BDBM50013006
PNG
(CHEMBL3143642 | {1-[1-(5-Amino-1-formyl-pentylcarb...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|
Show InChI InChI=1S/C29H40N4O5/c1-21(2)17-25(33-29(37)38-20-23-13-7-4-8-14-23)28(36)32-26(18-22-11-5-3-6-12-22)27(35)31-24(19-34)15-9-10-16-30/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 4.00E+5n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trypsin.(no inhibition at 400 microM)

J Med Chem 33: 86-93 (1990)


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


(Rattus norvegicus)		BDBM50012999
PNG
(CHEMBL2371642 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C25H40N4O5/c1-17(2)13-21(23(31)27-20(15-30)11-8-12-26)28-24(32)22(14-18(3)4)29-25(33)34-16-19-9-6-5-7-10-19/h5-7,9-10,15,17-18,20-22H,8,11-14,16,26H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t20-,21-,22-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of plasmin.(no inhibition at 400 microM)

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))		BDBM50013002
PNG
(CHEMBL3143643 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C28H38N4O5/c1-20(2)16-24(32-28(36)37-19-22-12-7-4-8-13-22)27(35)31-25(17-21-10-5-3-6-11-21)26(34)30-23(18-33)14-9-15-29/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 4.00E+5n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trypsin.(no inhibition at 400 microM)

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))		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 4.00E+5n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trypsin.(no inhibition at 400 microM)

J Med Chem 33: 86-93 (1990)


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


(Rattus norvegicus)		BDBM50013002
PNG
(CHEMBL3143643 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C28H38N4O5/c1-20(2)16-24(32-28(36)37-19-22-12-7-4-8-13-22)27(35)31-25(17-21-10-5-3-6-11-21)26(34)30-23(18-33)14-9-15-29/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 4.00E+5n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of plasmin.( no inhibition at 400 microM)

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))		BDBM50012996
PNG
(CHEMBL2371655 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C24H38N4O5/c1-16(2)13-20(27-24(32)33-15-18-9-6-5-7-10-18)22(30)28-21(17(3)4)23(31)26-19(14-29)11-8-12-25/h5-7,9-10,14,16-17,19-21H,8,11-13,15,25H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trypsin.(no inhibition at 400 microM)

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))		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 4.00E+5n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trypsin.(no inhibition at 400 microM)

J Med Chem 33: 86-93 (1990)


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


(Rattus norvegicus)		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 4.00E+5n/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)		BDBM50012996
PNG
(CHEMBL2371655 | {1-[1-(4-Amino-1-formyl-butylcarba...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C=O |r|
Show InChI InChI=1S/C24H38N4O5/c1-16(2)13-20(27-24(32)33-15-18-9-6-5-7-10-18)22(30)28-21(17(3)4)23(31)26-19(14-29)11-8-12-25/h5-7,9-10,14,16-17,19-21H,8,11-13,15,25H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1
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n/an/a 4.32E+5n/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
* indicates data uncertainty>20%