BDBM14145 2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2-yl}-6-(2-methylpropoxy)benzen-1-olate::APC-10656::CA-08
SMILES: CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
InChI Key: InChIKey=HSHVHNIOQTZSOQ-UHFFFAOYSA-N
Data: 25 KI
PDB links: 2 PDB IDs match this monomer. 7 PDB IDs contain this monomer as substructures. 7 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin (Bos taurus (bovine)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) | ||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 120 | -9.34 | n/a | n/a | n/a | n/a | n/a | 7.45 | 22 |
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) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 180 | -9.10 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
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 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 500 | -8.50 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) | ||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-1 (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) | ||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 (uPA) Mutant (S190A) (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) | ||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM14145 (2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |