BDBM50329772 4-{[(5-Nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide::4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide::CHEMBL1233732
SMILES: NS(=O)(=O)c1ccc(CNc2nc[nH]c(=O)c2[N+]([O-])=O)cc1
InChI Key: InChIKey=OFSBPMITNGFAFH-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 1 (Homo sapiens (Human)) | BDBM50329772 (4-{[(5-Nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 170 | 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 13 (Homo sapiens (Human)) | BDBM50329772 (4-{[(5-Nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 20 | 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 7 (Homo sapiens (Human)) | BDBM50329772 (4-{[(5-Nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 250 | 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 2 (Homo sapiens (Human)) | BDBM50329772 (4-{[(5-Nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 200 | 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 (crystal) |