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16 similar compounds to monomer 50102788

Compile data set for download or QSAR
Wt: 267.3
BDBM13943
Wt: 336.3
BDBM14144
Wt: 324.3
BDBM14145
Wt: 253.2
BDBM13937
Wt: 283.3
BDBM13939
Wt: 336.2
BDBM14357
Wt: 252.2
BDBM50100897
Wt: 282.2
BDBM50102782
Wt: 266.2
BDBM50102772
Wt: 268.2
BDBM50102774
Wt: 266.2
BDBM50102775
Wt: 266.2
BDBM50102793
Wt: 324.3
BDBM50115857
Wt: 336.3
BDBM50115861
Wt: 344.3
BDBM50115867
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 128 hits for monomerid = 13943,14144,14145,13937,13939,14357,50100897,50102782,50102772,50102774,50102775,50102793,50115857,50115861,50115867   
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))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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26n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM14144
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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52 -9.83n/an/an/an/an/a7.6722



Celera



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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM13937
PNG
(2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMI...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
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65 -9.70n/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
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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120 -9.34n/an/an/an/an/a7.4522



Celera



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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM13937
PNG
(2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMI...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
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170n/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
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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180 -9.10n/an/an/an/an/a8.222



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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190n/an/an/an/an/an/an/an/a



Celera



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 344: 527-47 (2004)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2V40SF3
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14144
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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190n/an/an/an/an/an/an/an/a



Celera



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 344: 527-47 (2004)


Article DOI: 10.1016/j.jmb.2004.09.032
BindingDB Entry DOI: 10.7270/Q2V40SF3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14144
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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220 -8.98n/an/an/an/an/a7.422



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14144
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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220n/an/an/an/an/an/an/an/a



Celera



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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50115861
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-benzoimid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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220n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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250n/an/an/an/an/an/an/an/a



Celera



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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50115857
PNG
(2-(2-Hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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250n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13937
PNG
(2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMI...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
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280n/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))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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370n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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390n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50115867
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-benzoimidazole-5...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C20H16N4O2/c21-19(22)12-9-10-15-16(11-12)24-20(23-15)14-7-4-8-17(18(14)25)26-13-5-2-1-3-6-13/h1-11,25H,(H3,21,22)(H,23,24)
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400n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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480n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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500 -8.50n/an/an/an/an/a7.422



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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550n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM14144
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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550n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50115861
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-benzoimid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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600n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM14144
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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600n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50115861
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-benzoimid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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690n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of tissue-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14144
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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730n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM13937
PNG
(2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMI...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
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750n/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
3D
3D Structure (crystal)
Plasminogen


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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1.00E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50115857
PNG
(2-(2-Hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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1.00E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of tissue-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50115867
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-benzoimidazole-5...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C20H16N4O2/c21-19(22)12-9-10-15-16(11-12)24-20(23-15)14-7-4-8-17(18(14)25)26-13-5-2-1-3-6-13/h1-11,25H,(H3,21,22)(H,23,24)
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1.00E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of tissue-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13937
PNG
(2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMI...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
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1.10E+3 -8.04n/an/an/an/an/a7.022



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
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM13939
PNG
(2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...)
Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1
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1.10E+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
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM13939
PNG
(2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...)
Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1
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1.20E+3 -7.99n/an/an/an/an/a7.7222



Celera



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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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1.30E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasminogen


(Homo sapiens (Human))
BDBM50115857
PNG
(2-(2-Hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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1.30E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14144
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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1.40E+3n/an/an/an/an/an/an/an/a



Celera



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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14144
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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1.40E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50115861
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-benzoimid...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23)
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1.50E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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1.60E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102774
PNG
(2-(2,6-Dihydroxy-phenyl)-1H-benzoimidazole-5-carbo...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1c(O)cccc1O
Show InChI InChI=1S/C14H12N4O2/c15-13(16)7-4-5-8-9(6-7)18-14(17-8)12-10(19)2-1-3-11(12)20/h1-6,19-20H,(H3,15,16)(H,17,18)
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1.90E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


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))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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2.00E+3n/an/an/an/an/an/an/an/a



Celera



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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13937
PNG
(2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMI...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
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2.00E+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
Coagulation factor X


(Homo sapiens (Human))
BDBM50115867
PNG
(2-(2-Hydroxy-3-phenoxy-phenyl)-1H-benzoimidazole-5...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccccc2)c1O
Show InChI InChI=1S/C20H16N4O2/c21-19(22)12-9-10-15-16(11-12)24-20(23-15)14-7-4-8-17(18(14)25)26-13-5-2-1-3-6-13/h1-11,25H,(H3,21,22)(H,23,24)
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2.10E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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2.30E+3n/an/an/an/an/an/an/an/a



Celera



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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM13937
PNG
(2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMI...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
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2.30E+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
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50115857
PNG
(2-(2-Hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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2.40E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 12: 2019-22 (2002)


Article DOI: 10.1016/s0960-894x(02)00311-6
BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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2.50E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM13939
PNG
(2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5...)
Show SMILES COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
Show InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1
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2.50E+3 -7.56n/an/an/an/an/a7.522



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
3D
3D Structure (crystal)
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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2.70E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM14145
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
Show InChI InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,23H,9H2,1-2H3,(H3,19,20)(H,21,22)
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3.30E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceutical



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...


Chem Biol 8: 1107-21 (2001)


Article DOI: 10.1016/S1074-5521(01)00084-9
BindingDB Entry DOI: 10.7270/Q2S75DKN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin


(Bos taurus (bovine))
BDBM13937
PNG
(2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMI...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
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3.40E+3 -7.38n/an/an/an/an/a7.7222



Celera



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 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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