BDBM14334 2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-yl}-6-(cyclopentyloxy)benzen-1-olate::CRA-10991
SMILES: NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(OC2CCCC2)c1[O-]
InChI Key: InChIKey=QXAURVOBXQBPAP-UHFFFAOYSA-N
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)) | BDBM14334![]() (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | DrugBank PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | 21 | 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) | ||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM14334![]() (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 160 | 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 | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM14334![]() (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | DrugBank 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 | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM14334![]() (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 6.00E+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 | |||||||||||||
Thrombin and coagulation factor X (Homo sapiens (Human)) | BDBM14334![]() (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 2.40E+5 | 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 |