Found 467 hits with Last Name = 'capperucci' and Initial = 'a' 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)) | BDBM50279697
(CHEMBL4164295)Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C16H23NO3SSe/c1-11(2)12-8-9-16(3,18)15(10-12)22-14-6-4-13(5-7-14)21(17,19)20/h4-7,12,15,18H,1,8-10H2,2-3H3,(H2,17,19,20)/t12-,15?,16?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50279714
(CHEMBL4162168)Show SMILES [#6]-[#6](-[#6])-[#6@@H](-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O)-[#7]S(=O)(=O)c1ccc(-[#6])cc1 |r| Show InChI InChI=1S/C18H24N2O4S2Se/c1-13(2)18(20-26(23,24)16-6-4-14(3)5-7-16)12-27-17-10-8-15(9-11-17)25(19,21)22/h4-11,13,18,20H,12H2,1-3H3,(H2,19,21,22)/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515558
(CHEMBL4535036)Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C15H17NO4STe/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50279696
(CHEMBL4173889)Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C11H18N2O2SSe/c1-8(2)11(12)7-17-10-5-3-9(4-6-10)16(13,14)15/h3-6,8,11H,7,12H2,1-2H3,(H2,13,14,15)/t11-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515559
(CHEMBL4435078)Show SMILES [#6]-c1ccc([Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C16H19NO4STe/c1-12-2-8-16(9-3-12)23-11-13(18)10-21-14-4-6-15(7-5-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515564
(CHEMBL4535469)Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515563
(CHEMBL4436769)Show SMILES [#6]-c1ccccc1[Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C16H19NO4STe/c1-12-4-2-3-5-16(12)23-11-13(18)10-21-14-6-8-15(9-7-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50279697
(CHEMBL4164295)Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C16H23NO3SSe/c1-11(2)12-8-9-16(3,18)15(10-12)22-14-6-4-13(5-7-14)21(17,19)20/h4-7,12,15,18H,1,8-10H2,2-3H3,(H2,17,19,20)/t12-,15?,16?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50279695
(CHEMBL4160510)Show SMILES [#6]-[#6](-[#6])-[#8]-[#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C12H19NO4SSe/c1-9(2)17-7-10(14)8-19-12-5-3-11(4-6-12)18(13,15)16/h3-6,9-10,14H,7-8H2,1-2H3,(H2,13,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50515563
(CHEMBL4436769)Show SMILES [#6]-c1ccccc1[Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C16H19NO4STe/c1-12-4-2-3-5-16(12)23-11-13(18)10-21-14-6-8-15(9-7-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50279712
(CHEMBL4172182)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#8])cc1 Show InChI InChI=1S/C12H17NO3SSe/c13-17(15,16)9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2,(H2,13,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50515558
(CHEMBL4535036)Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C15H17NO4STe/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50515564
(CHEMBL4535469)Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C18H24N2O8S2Te/c19-29(23,24)17-5-1-15(2-6-17)27-9-13(21)11-31-12-14(22)10-28-16-3-7-18(8-4-16)30(20,25)26/h1-8,13-14,21-22H,9-12H2,(H2,19,23,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50279704
(CHEMBL4166046)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C12H19NO3SSe/c1-2-3-4-10(14)9-18-12-7-5-11(6-8-12)17(13,15)16/h5-8,10,14H,2-4,9H2,1H3,(H2,13,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50279707
(CHEMBL4174548)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C16H19NO4SSe/c17-22(19,20)15-6-8-16(9-7-15)23-12-14(18)11-21-10-13-4-2-1-3-5-13/h1-9,14,18H,10-12H2,(H2,17,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515559
(CHEMBL4435078)Show SMILES [#6]-c1ccc([Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C16H19NO4STe/c1-12-2-8-16(9-3-12)23-11-13(18)10-21-14-4-6-15(7-5-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50457328
(CHEMBL4204740)Show SMILES [#7]S(=O)(=O)c1ccc(-[#6]-[#6]-[#7]-[#6](=[Se;v2])-[#7]-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H16BrN3O2SSe/c16-12-3-5-13(6-4-12)19-15(23)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50279707
(CHEMBL4174548)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C16H19NO4SSe/c17-22(19,20)15-6-8-16(9-7-15)23-12-14(18)11-21-10-13-4-2-1-3-5-13/h1-9,14,18H,10-12H2,(H2,17,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50279706
(CHEMBL4165963)Show SMILES [#6]-[#6](-[#6])-[#6@@H](-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O)-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6] |r| Show InChI InChI=1S/C16H26N2O4SSe/c1-11(2)14(18-15(19)22-16(3,4)5)10-24-13-8-6-12(7-9-13)23(17,20)21/h6-9,11,14H,10H2,1-5H3,(H,18,19)(H2,17,20,21)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50279697
(CHEMBL4164295)Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C16H23NO3SSe/c1-11(2)12-8-9-16(3,18)15(10-12)22-14-6-4-13(5-7-14)21(17,19)20/h4-7,12,15,18H,1,8-10H2,2-3H3,(H2,17,19,20)/t12-,15?,16?/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50279708
(CHEMBL4170420)Show SMILES [#6]-c1ccc(cc1)S(=O)(=O)[#7]-[#6@H](-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O)-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C22H24N2O4S2Se/c1-17-7-9-21(10-8-17)30(27,28)24-19(15-18-5-3-2-4-6-18)16-31-22-13-11-20(12-14-22)29(23,25)26/h2-14,19,24H,15-16H2,1H3,(H2,23,25,26)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50279696
(CHEMBL4173889)Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C11H18N2O2SSe/c1-8(2)11(12)7-17-10-5-3-9(4-6-10)16(13,14)15/h3-6,8,11H,7,12H2,1-2H3,(H2,13,14,15)/t11-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50515559
(CHEMBL4435078)Show SMILES [#6]-c1ccc([Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C16H19NO4STe/c1-12-2-8-16(9-3-12)23-11-13(18)10-21-14-4-6-15(7-5-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50279705
(CHEMBL4161289)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CA7 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111811 BindingDB Entry DOI: 10.7270/Q2FT8QD1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50457337
(CHEMBL4206680)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C16H19N3O3SSe/c1-22-15-5-3-2-4-14(15)19-16(24)18-11-10-12-6-8-13(9-7-12)23(17,20)21/h2-9H,10-11H2,1H3,(H2,17,20,21)(H2,18,19,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574145
(CHEMBL4849345)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ccccc2)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574147
(CHEMBL4868581)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ncccn2)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50279708
(CHEMBL4170420)Show SMILES [#6]-c1ccc(cc1)S(=O)(=O)[#7]-[#6@H](-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O)-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C22H24N2O4S2Se/c1-17-7-9-21(10-8-17)30(27,28)24-19(15-18-5-3-2-4-6-18)16-31-22-13-11-20(12-14-22)29(23,25)26/h2-14,19,24H,15-16H2,1H3,(H2,23,25,26)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50457335
(CHEMBL4218419)Show SMILES [#7]S(=O)(=O)c1ccc(-[#6]-[#6]-[#7]-[#6](=[Se;v2])-[#7]-c2ccccc2Cl)cc1 Show InChI InChI=1S/C15H16ClN3O2SSe/c16-13-3-1-2-4-14(13)19-15(23)18-10-9-11-5-7-12(8-6-11)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50279706
(CHEMBL4165963)Show SMILES [#6]-[#6](-[#6])-[#6@@H](-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O)-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6] |r| Show InChI InChI=1S/C16H26N2O4SSe/c1-11(2)14(18-15(19)22-16(3,4)5)10-24-13-8-6-12(7-9-13)23(17,20)21/h6-9,11,14H,10H2,1-5H3,(H,18,19)(H2,17,20,21)/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50457327
(CHEMBL4214412)Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]-[#6](=[Se;v2])-[#7]-c2ccccc2Cl)cc1 Show InChI InChI=1S/C13H12ClN3O2SSe/c14-11-3-1-2-4-12(11)17-13(21)16-9-5-7-10(8-6-9)20(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515561
(CHEMBL4442220)Show SMILES [#6]-[#6]-[#6]-[#6][Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C13H21NO4STe/c1-2-3-8-20-10-11(15)9-18-12-4-6-13(7-5-12)19(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574150
(CHEMBL4848929)Show SMILES [#6]-c1ccccc1[Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50457327
(CHEMBL4214412)Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]-[#6](=[Se;v2])-[#7]-c2ccccc2Cl)cc1 Show InChI InChI=1S/C13H12ClN3O2SSe/c14-11-3-1-2-4-12(11)17-13(21)16-9-5-7-10(8-6-9)20(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574159
(CHEMBL4873126)Show SMILES [#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c1ccc(cc1)S([#7])(=O)=O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50279695
(CHEMBL4160510)Show SMILES [#6]-[#6](-[#6])-[#8]-[#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C12H19NO4SSe/c1-9(2)17-7-10(14)8-19-12-5-3-11(4-6-12)18(13,15)16/h3-6,9-10,14H,7-8H2,1-2H3,(H2,13,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50457338
(CHEMBL4216411)Show SMILES [#7]S(=O)(=O)c1ccc(-[#6]-[#6]-[#7]-[#6](=[Se;v2])-[#7]-c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H16F3N3O2SSe/c17-16(18,19)12-2-1-3-13(10-12)22-15(26)21-9-8-11-4-6-14(7-5-11)25(20,23)24/h1-7,10H,8-9H2,(H2,20,23,24)(H2,21,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515557
(CHEMBL4470177)Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C16H19NO5STe/c1-21-13-4-8-16(9-5-13)24-11-12(18)10-22-14-2-6-15(7-3-14)23(17,19)20/h2-9,12,18H,10-11H2,1H3,(H2,17,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586 BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50457337
(CHEMBL4206680)Show SMILES [#6]-[#8]-c1ccccc1-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C16H19N3O3SSe/c1-22-15-5-3-2-4-14(15)19-16(24)18-11-10-12-6-8-13(9-7-12)23(17,20)21/h2-9H,10-11H2,1H3,(H2,17,20,21)(H2,18,19,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574158
(CHEMBL4854921)Show SMILES [#6]-[#8]-c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ccc(cc2)S([#7])(=O)=O)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574151
(CHEMBL4874519)Show SMILES [#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50457328
(CHEMBL4204740)Show SMILES [#7]S(=O)(=O)c1ccc(-[#6]-[#6]-[#7]-[#6](=[Se;v2])-[#7]-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H16BrN3O2SSe/c16-12-3-5-13(6-4-12)19-15(23)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50457335
(CHEMBL4218419)Show SMILES [#7]S(=O)(=O)c1ccc(-[#6]-[#6]-[#7]-[#6](=[Se;v2])-[#7]-c2ccccc2Cl)cc1 Show InChI InChI=1S/C15H16ClN3O2SSe/c16-13-3-1-2-4-14(13)19-15(23)18-10-9-11-5-7-12(8-6-11)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50279711
(CHEMBL4174268)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]Br)cc1 Show InChI InChI=1S/C9H12BrNO3SSe/c10-5-7(12)6-16-9-3-1-8(2-4-9)15(11,13)14/h1-4,7,12H,5-6H2,(H2,11,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387 BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574149
(CHEMBL4875348)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c2ccccc2)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574152
(CHEMBL4860297)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6][Se;v2][#6]-[#6](-[#8])-[#6]-[#8]-[#6]-[#6]=[#6])cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50457342
(CHEMBL4205129)Show SMILES [#7]S(=O)(=O)c1ccc(-[#6]-[#6]-[#7]-[#6](=[Se;v2])-[#7]-c2ccccc2)cc1 Show InChI InChI=1S/C15H17N3O2SSe/c16-21(19,20)14-8-6-12(7-9-14)10-11-17-15(22)18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,19,20)(H2,17,18,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol... |
ACS Med Chem Lett 8: 963-968 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00280 BindingDB Entry DOI: 10.7270/Q2TT4TKD |
More data for this Ligand-Target Pair | |