BDBM50329760 4-[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide::CHEMBL1272233
SMILES: CSc1nc(Cl)c(C#N)c(Nc2ccc(cc2)S(N)(=O)=O)n1
InChI Key: InChIKey=NLZOFAOZKQDCKF-UHFFFAOYSA-N
Data: 8 Kd
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 1 (Homo sapiens (Human)) | BDBM50329760 (4-[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay | Bioorg Med Chem 18: 7413-21 (2010) Article DOI: 10.1016/j.bmc.2010.09.011 BindingDB Entry DOI: 10.7270/Q2TB1734 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50329760 (4-[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay | Bioorg Med Chem 18: 7413-21 (2010) Article DOI: 10.1016/j.bmc.2010.09.011 BindingDB Entry DOI: 10.7270/Q2TB1734 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50329760 (4-[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay | Bioorg Med Chem 18: 7413-21 (2010) Article DOI: 10.1016/j.bmc.2010.09.011 BindingDB Entry DOI: 10.7270/Q2TB1734 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50329760 (4-[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay | Bioorg Med Chem 18: 7413-21 (2010) Article DOI: 10.1016/j.bmc.2010.09.011 BindingDB Entry DOI: 10.7270/Q2TB1734 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50329760 (4-[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay | Bioorg Med Chem 18: 7413-21 (2010) Article DOI: 10.1016/j.bmc.2010.09.011 BindingDB Entry DOI: 10.7270/Q2TB1734 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50329760 (4-[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 7 by isothermal titration calorimetry assay | Bioorg Med Chem 18: 7413-21 (2010) Article DOI: 10.1016/j.bmc.2010.09.011 BindingDB Entry DOI: 10.7270/Q2TB1734 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50329760 (4-[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay | Bioorg Med Chem 18: 7413-21 (2010) Article DOI: 10.1016/j.bmc.2010.09.011 BindingDB Entry DOI: 10.7270/Q2TB1734 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50329760 (4-[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay | Bioorg Med Chem 18: 7413-21 (2010) Article DOI: 10.1016/j.bmc.2010.09.011 BindingDB Entry DOI: 10.7270/Q2TB1734 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |