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6 similar compounds to monomer 50100893

Compile data set for download or QSAR
Wt: 267.3
BDBM13943
Wt: 266.2
BDBM50102772
Wt: 266.2
BDBM50102793
Wt: 485.5
BDBM50100878
Wt: 679.2
BDBM50100883
Wt: 680.1
BDBM50100886

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 13943,50102772,50102793,50100878,50100883,50100886   
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
Trypsin


(Bos taurus (bovine))
BDBM13943
PNG
(APC-1847 | {amino[2-(2-methoxyphenyl)-1H-1,3-benzo...)
Show SMILES COc1ccccc1-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
Show InChI InChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)15-18-11-7-6-9(14(16)17)8-12(11)19-15/h2-8H,1H3,(H3,16,17)(H,18,19)/p+1
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6.70E+3 -6.98n/an/an/an/an/a8.022



Axys Pharmaceuticals Corporation



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 307: 1451-86 (2001)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2FX77PG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102793
PNG
(2-(2-Hydroxy-5-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
Show InChI InChI=1S/C15H14N4O/c1-8-2-5-13(20)10(6-8)15-18-11-4-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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7.50E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102772
PNG
(2-(2-Hydroxy-3-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O/c1-8-3-2-4-10(13(8)20)15-18-11-6-5-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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8.00E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM13943
PNG
(APC-1847 | {amino[2-(2-methoxyphenyl)-1H-1,3-benzo...)
Show SMILES COc1ccccc1-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
Show InChI InChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)15-18-11-7-6-9(14(16)17)8-12(11)19-15/h2-8H,1H3,(H3,16,17)(H,18,19)/p+1
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8.70E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Corporation



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 307: 1451-86 (2001)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2FX77PG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50102793
PNG
(2-(2-Hydroxy-5-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
Show InChI InChI=1S/C15H14N4O/c1-8-2-5-13(20)10(6-8)15-18-11-4-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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9.00E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Trypsin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM13943
PNG
(APC-1847 | {amino[2-(2-methoxyphenyl)-1H-1,3-benzo...)
Show SMILES COc1ccccc1-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
Show InChI InChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)15-18-11-7-6-9(14(16)17)8-12(11)19-15/h2-8H,1H3,(H3,16,17)(H,18,19)/p+1
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1.00E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Corporation



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 307: 1451-86 (2001)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2FX77PG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102772
PNG
(2-(2-Hydroxy-3-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O/c1-8-3-2-4-10(13(8)20)15-18-11-6-5-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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1.00E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50102772
PNG
(2-(2-Hydroxy-3-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O/c1-8-3-2-4-10(13(8)20)15-18-11-6-5-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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1.50E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Trypsin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102793
PNG
(2-(2-Hydroxy-5-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
Show InChI InChI=1S/C15H14N4O/c1-8-2-5-13(20)10(6-8)15-18-11-4-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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1.60E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13943
PNG
(APC-1847 | {amino[2-(2-methoxyphenyl)-1H-1,3-benzo...)
Show SMILES COc1ccccc1-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
Show InChI InChI=1S/C15H14N4O/c1-20-13-5-3-2-4-10(13)15-18-11-7-6-9(14(16)17)8-12(11)19-15/h2-8H,1H3,(H3,16,17)(H,18,19)/p+1
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1.70E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Corporation



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 307: 1451-86 (2001)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q2FX77PG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50102772
PNG
(2-(2-Hydroxy-3-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O/c1-8-3-2-4-10(13(8)20)15-18-11-6-5-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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4.80E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Thrombin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50102772
PNG
(2-(2-Hydroxy-3-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O/c1-8-3-2-4-10(13(8)20)15-18-11-6-5-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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6.00E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50102793
PNG
(2-(2-Hydroxy-5-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
Show InChI InChI=1S/C15H14N4O/c1-8-2-5-13(20)10(6-8)15-18-11-4-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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6.00E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50102793
PNG
(2-(2-Hydroxy-5-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
Show InChI InChI=1S/C15H14N4O/c1-8-2-5-13(20)10(6-8)15-18-11-4-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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6.50E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Thrombin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102772
PNG
(2-(2-Hydroxy-3-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O/c1-8-3-2-4-10(13(8)20)15-18-11-6-5-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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6.90E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease tissue type Plasminogen Activator (t-PA).


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102793
PNG
(2-(2-Hydroxy-5-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
Show InChI InChI=1S/C15H14N4O/c1-8-2-5-13(20)10(6-8)15-18-11-4-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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1.13E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease tissue type Plasminogen Activator (t-PA).


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Subtilisin-like serine protease


(Plasmodium falciparum)
BDBM50100878
PNG
(CHEMBL3326335)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(=O)NCCC(O)=O
Show InChI InChI=1S/C21H35N5O8/c1-7-10(2)16(26-14(6)27)20(33)25-13(5)19(32)24-12(4)18(31)23-11(3)17(30)21(34)22-9-8-15(28)29/h10-13,16H,7-9H2,1-6H3,(H,22,34)(H,23,31)(H,24,32)(H,25,33)(H,26,27)(H,28,29)/t10-,11?,12-,13-,16-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SUB1


Bioorg Med Chem Lett 24: 4486-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB
More data for this
Ligand-Target Pair
Subtilisin-like serine protease


(Plasmodium falciparum)
BDBM50100883
PNG
(CHEMBL3325861)
Show SMILES Cl.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(=O)NCCC(N)=O
Show InChI InChI=1S/C28H50N8O9.ClH/c1-7-14(2)21(35-25(42)19(34-18(6)38)10-8-9-12-29)26(43)36-22(17(5)37)27(44)33-16(4)24(41)32-15(3)23(40)28(45)31-13-11-20(30)39;/h14-17,19,21-22,37H,7-13,29H2,1-6H3,(H2,30,39)(H,31,45)(H,32,41)(H,33,44)(H,34,38)(H,35,42)(H,36,43);1H/t14-,15?,16-,17+,19-,21-,22-;/m0./s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SUB1


Bioorg Med Chem Lett 24: 4486-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB
More data for this
Ligand-Target Pair
Subtilisin-like serine protease


(Plasmodium falciparum)
BDBM50100886
PNG
(CHEMBL3325858)
Show SMILES Cl.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)C(=O)NCCC(O)=O
Show InChI InChI=1S/C28H49N7O10.ClH/c1-7-14(2)21(34-25(42)19(33-18(6)37)10-8-9-12-29)26(43)35-22(17(5)36)27(44)32-16(4)24(41)31-15(3)23(40)28(45)30-13-11-20(38)39;/h14-17,19,21-22,36H,7-13,29H2,1-6H3,(H,30,45)(H,31,41)(H,32,44)(H,33,37)(H,34,42)(H,35,43)(H,38,39);1H/t14-,15?,16-,17+,19-,21-,22-;/m0./s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SUB1


Bioorg Med Chem Lett 24: 4486-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.086
BindingDB Entry DOI: 10.7270/Q2DJ5HDB
More data for this
Ligand-Target Pair