BDBM14350 2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-{[(1S,2S)-2-methylcyclohexyl]oxy}benzen-1-olate::CA-11::CRA-11092
SMILES: C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1[O-]
InChI Key: InChIKey=CMCDWLMEDRBWIR-GTNSWQLSSA-N
Data: 10 KI
PDB links: 5 PDB IDs match this monomer. 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 30 | 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 (crystal) | ||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 33 | 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 | 3D Structure (crystal) | ||||||||||||
Hepsin (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 850 | 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 (crystal) | ||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 1.10E+3 | -8.04 | n/a | n/a | n/a | n/a | n/a | 7.4 | 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 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 | |||||||||||||
Tryptase (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 |
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 (uPA) Mutant (S190A) (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 6.00E+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 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 (crystal) | ||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 6.10E+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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.10E+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 | 3D Structure (crystal) | ||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 2.90E+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 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 | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM14350 (2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 3.20E+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 |