Found 5 hits of ki for monomerid = 50344554 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | 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
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | 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
| 235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | |