BDBM50240969 5-Chloro-2-hydroxy-benzoic acid::5-Chlorosalicylic Acid::CHEMBL1375
SMILES: OC(=O)c1cc(Cl)ccc1O
InChI Key: InChIKey=NKBASRXWGAGQDP-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50240969 (5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by uncompetitive Lineweaver-Burk plot | Bioorg Med Chem 16: 9101-5 (2008) Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50240969 (5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by uncompetitive Lineweaver-Burk plot | Bioorg Med Chem 16: 9101-5 (2008) Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serum albumin (Homo sapiens (Human)) | BDBM50240969 (5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.14E+13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecular Discovery Ltd. Curated by ChEMBL | Assay Description Binding affinity towards human serum albumin | J Med Chem 48: 2469-79 (2005) Article DOI: 10.1021/jm049227l BindingDB Entry DOI: 10.7270/Q2125WDN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50240969 (5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry | Bioorg Med Chem 16: 9101-5 (2008) Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D-Aspartate Oxidase (DDO) (Homo sapiens (Human)) | BDBM50240969 (5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ... | J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D-amino-acid oxidase (Homo sapiens (Human)) | BDBM50240969 (5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.67E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ... | J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50240969 (5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry | Bioorg Med Chem 16: 9101-5 (2008) Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2 | |||||||||||
More data for this Ligand-Target Pair |