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40 similar compounds to monomer 50079824

Compile data set for download or QSAR
Wt: 229.7
BDBM50013000
Wt: 433.5
BDBM50022880
Wt: 516.6
BDBM50029504
Wt: 502.6
BDBM50029511
Wt: 530.6
BDBM50029512
Wt: 504.6
BDBM50040000
Wt: 504.6
BDBM50040009
Wt: 502.6
BDBM50070494
Wt: 405.4
BDBM50070495
Wt: 419.5
BDBM50070497
Wt: 502.6
BDBM50070501
Wt: 516.6
BDBM50070502
Wt: 405.4
BDBM50070503
Wt: 590.7
BDBM50079821
Wt: 505.6
BDBM50079822
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50013000,50022880,50029504,50029511,50029512,50040000,50040009,50070494,50070495,50070497,50070501,50070502,50070503,50079821,50079822   
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
Calpain1/2


(Homo sapiens (Human))
BDBM50040009
PNG
(CHEMBL101791 | {(S)-1-[(S)-1-((S)-1-Ethylcarbamoyl...)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC
Show InChI InChI=1S/C27H44N4O5/c1-8-13-20(23(32)28-9-2)29-24(33)21(16-18(3)4)30-25(34)22(17-19-14-11-10-12-15-19)31-26(35)36-27(5,6)7/h10-12,14-15,18,20-22H,8-9,13,16-17H2,1-7H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)/t20-,21-,22-/m0/s1
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61n/an/an/an/an/an/an/an/a



Alkermes, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine erythrocyte calpain 1.


J Med Chem 37: 2918-29 (1994)


Article DOI: 10.1021/jm00044a013
BindingDB Entry DOI: 10.7270/Q2BR8R64
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50040000
PNG
(CHEMBL327974 | {(R)-1-[(S)-1-((S)-1-Ethylcarbamoyl...)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC
Show InChI InChI=1S/C27H44N4O5/c1-8-13-20(23(32)28-9-2)29-24(33)21(16-18(3)4)30-25(34)22(17-19-14-11-10-12-15-19)31-26(35)36-27(5,6)7/h10-12,14-15,18,20-22H,8-9,13,16-17H2,1-7H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)/t20-,21-,22+/m0/s1
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93n/an/an/an/an/an/an/an/a



Alkermes, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine erythrocyte calpain 1.


J Med Chem 37: 2918-29 (1994)


Article DOI: 10.1021/jm00044a013
BindingDB Entry DOI: 10.7270/Q2BR8R64
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50013000
PNG
(CHEMBL8100)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Cl
Show InChI InChI=1/C11H16ClNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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218n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex using [3H]ketanserin radioligand


J Med Chem 33: 1032-6 (1990)


Article DOI: 10.1021/jm00165a023
BindingDB Entry DOI: 10.7270/Q2319Z37
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50029512
PNG
(CHEMBL139910 | tert-butyloxy carbonyl-D-Phe-DL-Pro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(CCC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C27H42N6O5/c1-26(2,3)38-25(37)32-20(16-18-10-7-6-8-11-18)23(36)33-21(13-14-27(33,4)5)22(35)31-19(17-34)12-9-15-30-24(28)29/h6-8,10-11,17,19-21H,9,12-16H2,1-5H3,(H,31,35)(H,32,37)(H4,28,29,30)/t19-,20-,21?/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50029511
PNG
(CHEMBL104472 | tert-butyloxy carbonyl-D-Phe-pro-Ar...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Trypsin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50029512
PNG
(CHEMBL139910 | tert-butyloxy carbonyl-D-Phe-DL-Pro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(CCC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C27H42N6O5/c1-26(2,3)38-25(37)32-20(16-18-10-7-6-8-11-18)23(36)33-21(13-14-27(33,4)5)22(35)31-19(17-34)12-9-15-30-24(28)29/h6-8,10-11,17,19-21H,9,12-16H2,1-5H3,(H,31,35)(H,32,37)(H4,28,29,30)/t19-,20-,21?/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Trypsin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029511
PNG
(CHEMBL104472 | tert-butyloxy carbonyl-D-Phe-pro-Ar...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50029512
PNG
(CHEMBL139910 | tert-butyloxy carbonyl-D-Phe-DL-Pro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(CCC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C27H42N6O5/c1-26(2,3)38-25(37)32-20(16-18-10-7-6-8-11-18)23(36)33-21(13-14-27(33,4)5)22(35)31-19(17-34)12-9-15-30-24(28)29/h6-8,10-11,17,19-21H,9,12-16H2,1-5H3,(H,31,35)(H,32,37)(H4,28,29,30)/t19-,20-,21?/m0/s1
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n/an/a>3.00E+7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50029504
PNG
(CHEMBL139490 | {(S)-1-Benzyl-2-[(S)-2-((S)-1-formy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-20(16-18-10-5-4-6-11-18)23(35)32-15-8-7-13-21(32)22(34)30-19(17-33)12-9-14-29-24(27)28/h4-6,10-11,17,19-21H,7-9,12-16H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20-,21-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Coagulation factor X


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50029511
PNG
(CHEMBL104472 | tert-butyloxy carbonyl-D-Phe-pro-Ar...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Coagulation factor X


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029504
PNG
(CHEMBL139490 | {(S)-1-Benzyl-2-[(S)-2-((S)-1-formy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-20(16-18-10-5-4-6-11-18)23(35)32-15-8-7-13-21(32)22(34)30-19(17-33)12-9-14-29-24(27)28/h4-6,10-11,17,19-21H,7-9,12-16H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20-,21-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50029512
PNG
(CHEMBL139910 | tert-butyloxy carbonyl-D-Phe-DL-Pro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(CCC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C27H42N6O5/c1-26(2,3)38-25(37)32-20(16-18-10-7-6-8-11-18)23(36)33-21(13-14-27(33,4)5)22(35)31-19(17-34)12-9-15-30-24(28)29/h6-8,10-11,17,19-21H,9,12-16H2,1-5H3,(H,31,35)(H,32,37)(H4,28,29,30)/t19-,20-,21?/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Coagulation factor X


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50029512
PNG
(CHEMBL139910 | tert-butyloxy carbonyl-D-Phe-DL-Pro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(CCC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C27H42N6O5/c1-26(2,3)38-25(37)32-20(16-18-10-7-6-8-11-18)23(36)33-21(13-14-27(33,4)5)22(35)31-19(17-34)12-9-15-30-24(28)29/h6-8,10-11,17,19-21H,9,12-16H2,1-5H3,(H,31,35)(H,32,37)(H4,28,29,30)/t19-,20-,21?/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Thrombin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50029511
PNG
(CHEMBL104472 | tert-butyloxy carbonyl-D-Phe-pro-Ar...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022880
PNG
(1N-[1-[1-formyl-3-methyl-(1S)-butylcarbamoyl]-(1S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C=O
Show InChI InChI=1S/C23H35N3O5/c1-15(2)12-18(14-27)25-20(28)16(3)24-21(29)19(13-17-10-8-7-9-11-17)26-22(30)31-23(4,5)6/h7-11,14-16,18-19H,12-13H2,1-6H3,(H,24,29)(H,25,28)(H,26,30)/t16-,18-,19-/m0/s1
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n/an/a 2.00E+4n/an/an/an/a6.0n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human renal renin at pH 6


J Med Chem 31: 532-9 (1988)


Article DOI: 10.1021/jm00398a008
BindingDB Entry DOI: 10.7270/Q2NK3D1X
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50029511
PNG
(CHEMBL104472 | tert-butyloxy carbonyl-D-Phe-pro-Ar...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Prothrombin


J Med Chem 40: 3085-90 (1997)


Article DOI: 10.1021/jm960309m
BindingDB Entry DOI: 10.7270/Q23N22HD
More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079821
PNG
((1-(S)-1-Benzyl-2-{1-[(S)-1-((S)-1-carbamoyl-3-met...)
Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C29H50N8O5/c1-5-11-23(27(40)37-24(25(30)38)16-19(3)4)36-26(39)22(14-10-15-33-28(31)32)34-18-21(35-29(41)42-6-2)17-20-12-8-7-9-13-20/h7-9,12-13,19,21-24,34H,5-6,10-11,14-18H2,1-4H3,(H2,30,38)(H,35,41)(H,36,39)(H,37,40)(H4,31,32,33)/t21-,22-,23-,24-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)


Article DOI: 10.1016/s0960-894x(99)00333-9
BindingDB Entry DOI: 10.7270/Q2NZ86TF
More data for this
Ligand-Target Pair
MHC class II


(Rattus norvegicus)
BDBM50079822
PNG
(CHEMBL303059 | [(S)-1-((S)-1-{(S)-1-[((S)-1-Carbam...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H39N5O6/c1-7-36-25(35)29-19(14-18-11-9-8-10-12-18)23(33)27-16(4)22(32)28-17(5)24(34)30(6)20(21(26)31)13-15(2)3/h8-12,15-17,19-20H,7,13-14H2,1-6H3,(H2,26,31)(H,27,33)(H,28,32)(H,29,35)/t16-,17-,19-,20-/m0/s1
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n/an/a 8.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)


Article DOI: 10.1016/s0960-894x(99)00333-9
BindingDB Entry DOI: 10.7270/Q2NZ86TF
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070494
PNG
(CHEMBL36336 | {(R)-1-Benzyl-2-[(R)-2-((R)-1-formyl...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19-,20-/m1/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit Trypsin was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
Article DOI: 10.1016/s0960-894x(98)00244-3
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50070495
PNG
(CHEMBL290218 | [(S)-1-((S)-1-Formyl-4-guanidino-bu...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C20H31N5O4/c1-14(2)13-29-20(28)25-17(11-15-7-4-3-5-8-15)18(27)24-16(12-26)9-6-10-23-19(21)22/h3-5,7-8,12,14,16-17H,6,9-11,13H2,1-2H3,(H,24,27)(H,25,28)(H4,21,22,23)/t16-,17-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit papain was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
Article DOI: 10.1016/s0960-894x(98)00244-3
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50070497
PNG
(CHEMBL37975 | {(S)-1-[(S)-4-Guanidino-1-(2-oxo-eth...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CC=O
Show InChI InChI=1S/C21H33N5O4/c1-15(2)14-30-21(29)26-18(13-16-7-4-3-5-8-16)19(28)25-17(10-12-27)9-6-11-24-20(22)23/h3-5,7-8,12,15,17-18H,6,9-11,13-14H2,1-2H3,(H,25,28)(H,26,29)(H4,22,23,24)/t17-,18-/m0/s1
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n/an/a 1.05E+5n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit papain was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
Article DOI: 10.1016/s0960-894x(98)00244-3
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070494
PNG
(CHEMBL36336 | {(R)-1-Benzyl-2-[(R)-2-((R)-1-formyl...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19-,20-/m1/s1
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n/an/a 5.44E+3n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit Thrombin was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
Article DOI: 10.1016/s0960-894x(98)00244-3
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070501
PNG
(CHEMBL417682 | {(R)-1-Benzyl-2-[(R)-2-((S)-1-formy...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit Trypsin was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
Article DOI: 10.1016/s0960-894x(98)00244-3
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070502
PNG
(((R)-1-Benzyl-2-{(R)-2-[(S)-4-guanidino-1-(2-oxo-e...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)CC=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-20(17-18-9-5-4-6-10-18)23(35)32-15-8-12-21(32)22(34)30-19(13-16-33)11-7-14-29-24(27)28/h4-6,9-10,16,19-21H,7-8,11-15,17H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20+,21+/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit Trypsin was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
Article DOI: 10.1016/s0960-894x(98)00244-3
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070502
PNG
(((R)-1-Benzyl-2-{(R)-2-[(S)-4-guanidino-1-(2-oxo-e...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)CC=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-20(17-18-9-5-4-6-10-18)23(35)32-15-8-12-21(32)22(34)30-19(13-16-33)11-7-14-29-24(27)28/h4-6,9-10,16,19-21H,7-8,11-15,17H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20+,21+/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit Thrombin was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
Article DOI: 10.1016/s0960-894x(98)00244-3
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50070503
PNG
(CHEMBL286910 | [(S)-1-((R)-1-Formyl-4-guanidino-bu...)
Show SMILES CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C20H31N5O4/c1-14(2)13-29-20(28)25-17(11-15-7-4-3-5-8-15)18(27)24-16(12-26)9-6-10-23-19(21)22/h3-5,7-8,12,14,16-17H,6,9-11,13H2,1-2H3,(H,24,27)(H,25,28)(H4,21,22,23)/t16-,17+/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit papain was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
Article DOI: 10.1016/s0960-894x(98)00244-3
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50070501
PNG
(CHEMBL417682 | {(R)-1-Benzyl-2-[(R)-2-((S)-1-formy...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Institute for Drug Research

Curated by ChEMBL


Assay Description
Ability to inhibit Thrombin was evaluated by amidolytic method using fluorogenic or chromogenic substrates


Bioorg Med Chem Lett 8: 1477-82 (1999)

Checked by Author
Article DOI: 10.1016/s0960-894x(98)00244-3
BindingDB Entry DOI: 10.7270/Q2GB24KF
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50029511
PNG
(CHEMBL104472 | tert-butyloxy carbonyl-D-Phe-pro-Ar...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50029504
PNG
(CHEMBL139490 | {(S)-1-Benzyl-2-[(S)-2-((S)-1-formy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-20(16-18-10-5-4-6-11-18)23(35)32-15-8-7-13-21(32)22(34)30-19(17-33)12-9-14-29-24(27)28/h4-6,10-11,17,19-21H,7-9,12-16H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20-,21-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Trypsin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50029504
PNG
(CHEMBL139490 | {(S)-1-Benzyl-2-[(S)-2-((S)-1-formy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-20(16-18-10-5-4-6-11-18)23(35)32-15-8-7-13-21(32)22(34)30-19(17-33)12-9-14-29-24(27)28/h4-6,10-11,17,19-21H,7-9,12-16H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20-,21-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50029504
PNG
(CHEMBL139490 | {(S)-1-Benzyl-2-[(S)-2-((S)-1-formy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
Show InChI InChI=1S/C26H40N6O5/c1-26(2,3)37-25(36)31-20(16-18-10-5-4-6-11-18)23(35)32-15-8-7-13-21(32)22(34)30-19(17-33)12-9-14-29-24(27)28/h4-6,10-11,17,19-21H,7-9,12-16H2,1-3H3,(H,30,34)(H,31,36)(H4,27,28,29)/t19-,20-,21-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Enzyme Inhibitory activity measured against Plasmin


J Med Chem 38: 4446-53 (1995)


Article DOI: 10.1021/jm00022a009
BindingDB Entry DOI: 10.7270/Q2RB73MV
More data for this
Ligand-Target Pair