BDBM50335100 1,3-benzothiazol-2-amine::2-Aminobenzothiazole, 6::Benzothiazol-2-ylamine::CHEMBL329785::benzo[d]thiazol-2-amine
SMILES: Nc1nc2ccccc2s1
InChI Key: InChIKey=UHGULLIUJBCTEF-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 |
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Pteridine reductase 1 (Leishmania major) | BDBM50335100 (1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University Curated by ChEMBL | Assay Description Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis | J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jm1010572 BindingDB Entry DOI: 10.7270/Q27W6D6P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil cytosol factor 1 (Homo sapiens) | BDBM50335100 (1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells intera... | J Med Chem 63: 1156-1177 (2020) Article DOI: 10.1021/acs.jmedchem.9b01492 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pteridine reductase 1 (Leishmania major) | BDBM50335100 (1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Rutgers University Curated by ChEMBL | Assay Description Inhibition of Leishmania major PTR1 | J Agric Food Chem 59: 56-61 (2011) Article DOI: 10.1021/jm1010572 BindingDB Entry DOI: 10.7270/Q27W6D6P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vascular adhesion protein 1 (VAP-1) (Rattus norvegicus (Rat)) | BDBM50335100 (1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc. Curated by ChEMBL | Assay Description Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft... | Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA repair and recombination protein (RadA) (Pyrococcus furiosus) | BDBM50335100 (1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 7.30E+5 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge | Assay Description The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ... | Chembiochem 14: 332-42 (2013) Article DOI: 10.1002/cbic.201200521 BindingDB Entry DOI: 10.7270/Q2QF8RHG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human)) | BDBM50335100 (1,3-benzothiazol-2-amine | 2-Aminobenzothiazole, 6...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc. Curated by ChEMBL | Assay Description Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured a... | Bioorg Med Chem 21: 3873-81 (2013) Article DOI: 10.1016/j.bmc.2013.04.011 BindingDB Entry DOI: 10.7270/Q22B90DG | |||||||||||
More data for this Ligand-Target Pair |