Found 8 hits for monomerid = 50329771 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)) | BDBM50329771
(4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl...)Show SMILES COc1ncnc(NCCc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O Show InChI InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 67 | 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)) | BDBM50329771
(4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl...)Show SMILES COc1ncnc(NCCc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O Show InChI InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 280 | 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)) | BDBM50329771
(4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl...)Show SMILES COc1ncnc(NCCc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O Show InChI InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 | 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 (crystal) |
Carbonic anhydrase 13 (CA XIII)
(Homo sapiens (Human)) | BDBM50329771
(4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl...)Show SMILES COc1ncnc(NCCc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O Show InChI InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 230 | 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)) | BDBM50329771
(4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl...)Show SMILES COc1ncnc(NCCc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O Show InChI InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17) | 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 | 130 | 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)) | BDBM50329771
(4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl...)Show SMILES COc1ncnc(NCCc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O Show InChI InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17) | 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 | 440 | 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)) | BDBM50329771
(4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl...)Show SMILES COc1ncnc(NCCc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O Show InChI InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 130 | 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)) | BDBM50329771
(4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl...)Show SMILES COc1ncnc(NCCc2ccc(cc2)S(N)(=O)=O)c1[N+]([O-])=O Show InChI InChI=1S/C13H15N5O5S/c1-23-13-11(18(19)20)12(16-8-17-13)15-7-6-9-2-4-10(5-3-9)24(14,21)22/h2-5,8H,6-7H2,1H3,(H2,14,21,22)(H,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 | 150 | 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 (crystal) |