Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50008246 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 9
(Homo sapiens (Human)) | BDBM50517085
(CHEMBL4545711)Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.130 | 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517085
(CHEMBL4545711)Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.240 | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517085
(CHEMBL4545711)Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.380 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50517085
(CHEMBL4545711)Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.630 | 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 CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517082
(CHEMBL4466537)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H13ClF3N3O3S/c16-13-6-3-10(7-12(13)15(17,18)19)22-14(23)21-8-9-1-4-11(5-2-9)26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.700 | 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517088
(CHEMBL4543156)Show SMILES NS(=O)(=O)Oc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-5-4-9(7-11(12)14(16,17)18)21-13(22)20-8-2-1-3-10(6-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517094
(CHEMBL4465167)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 1.30 | 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517080
(CHEMBL4554889)Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O3S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517092
(CHEMBL4549365)Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O3S/c15-12-5-4-9(7-11(12)14(16,17)18)21-13(22)20-8-2-1-3-10(6-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
NCI pathway 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517088
(CHEMBL4543156)Show SMILES NS(=O)(=O)Oc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-5-4-9(7-11(12)14(16,17)18)21-13(22)20-8-2-1-3-10(6-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | 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 CA7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517094
(CHEMBL4465167)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 3.70 | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517080
(CHEMBL4554889)Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O3S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517088
(CHEMBL4543156)Show SMILES NS(=O)(=O)Oc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-5-4-9(7-11(12)14(16,17)18)21-13(22)20-8-2-1-3-10(6-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517089
(CHEMBL4473594)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C22H18ClF3N4O4S/c23-19-10-7-16(11-18(19)22(24,25)26)30-21(32)29-15-5-3-14(4-6-15)20(31)28-12-13-1-8-17(9-2-13)35(27,33)34/h1-11H,12H2,(H,28,31)(H2,27,33,34)(H2,29,30,32) | PDB MMDB
NCI pathway 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 |
University of Florence
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517094
(CHEMBL4465167)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 5.70 | 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 CA7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
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
| 6 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(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 MMDB PDB Article PubMed
| 12 | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 9
(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
NCI pathway 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
| Article PubMed
| 26 | 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517086
(CHEMBL4468382)Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-10-3-1-7(5-9(10)14(16,17)18)20-13(23)21-11-6-8(26(19,24)25)2-4-12(11)22/h1-6,22H,(H2,19,24,25)(H2,20,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50517088
(CHEMBL4543156)Show SMILES NS(=O)(=O)Oc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-5-4-9(7-11(12)14(16,17)18)21-13(22)20-8-2-1-3-10(6-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 39 | 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 CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50517094
(CHEMBL4465167)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 49 | 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 CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517082
(CHEMBL4466537)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H13ClF3N3O3S/c16-13-6-3-10(7-12(13)15(17,18)19)22-14(23)21-8-9-1-4-11(5-2-9)26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 51 | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517092
(CHEMBL4549365)Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O3S/c15-12-5-4-9(7-11(12)14(16,17)18)21-13(22)20-8-2-1-3-10(6-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 72 | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50517080
(CHEMBL4554889)Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O3S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 85 | 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 CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517089
(CHEMBL4473594)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C22H18ClF3N4O4S/c23-19-10-7-16(11-18(19)22(24,25)26)30-21(32)29-15-5-3-14(4-6-15)20(31)28-12-13-1-8-17(9-2-13)35(27,33)34/h1-11H,12H2,(H,28,31)(H2,27,33,34)(H2,29,30,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517090
(CHEMBL4578946)Show SMILES NS(=O)(=O)c1ccc(OCCCCCCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C27H28ClF3N4O5S/c28-24-14-9-20(17-23(24)27(29,30)31)35-26(37)34-19-7-5-18(6-8-19)25(36)33-15-3-1-2-4-16-40-21-10-12-22(13-11-21)41(32,38)39/h5-14,17H,1-4,15-16H2,(H,33,36)(H2,32,38,39)(H2,34,35,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 102 | 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517081
(CHEMBL4462083)Show SMILES NS(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C24H22ClF3N4O5S/c25-21-11-6-17(14-20(21)24(26,27)28)32-23(34)31-16-4-2-15(3-5-16)22(33)30-12-1-13-37-18-7-9-19(10-8-18)38(29,35)36/h2-11,14H,1,12-13H2,(H,30,33)(H2,29,35,36)(H2,31,32,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 188 | 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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517080
(CHEMBL4554889)Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C14H11ClF3N3O3S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 199 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517089
(CHEMBL4473594)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C22H18ClF3N4O4S/c23-19-10-7-16(11-18(19)22(24,25)26)30-21(32)29-15-5-3-14(4-6-15)20(31)28-12-13-1-8-17(9-2-13)35(27,33)34/h1-11H,12H2,(H,28,31)(H2,27,33,34)(H2,29,30,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 210 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(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
NCI pathway 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
| 250 | 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 CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517081
(CHEMBL4462083)Show SMILES NS(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C24H22ClF3N4O5S/c25-21-11-6-17(14-20(21)24(26,27)28)32-23(34)31-16-4-2-15(3-5-16)22(33)30-12-1-13-37-18-7-9-19(10-8-18)38(29,35)36/h2-11,14H,1,12-13H2,(H,30,33)(H2,29,35,36)(H2,31,32,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 363 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517087
(CHEMBL4457039)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H15ClF3N3O3S/c17-14-6-3-11(9-13(14)16(18,19)20)23-15(24)22-8-7-10-1-4-12(5-2-10)27(21,25)26/h1-6,9H,7-8H2,(H2,21,25,26)(H2,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 386 | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50517089
(CHEMBL4473594)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C22H18ClF3N4O4S/c23-19-10-7-16(11-18(19)22(24,25)26)30-21(32)29-15-5-3-14(4-6-15)20(31)28-12-13-1-8-17(9-2-13)35(27,33)34/h1-11H,12H2,(H,28,31)(H2,27,33,34)(H2,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 432 | 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 CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517083
(CHEMBL4462101)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C23H20ClF3N4O4S/c24-20-10-7-17(13-19(20)23(25,26)27)31-22(33)30-16-5-3-15(4-6-16)21(32)29-12-11-14-1-8-18(9-2-14)36(28,34)35/h1-10,13H,11-12H2,(H,29,32)(H2,28,34,35)(H2,30,31,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 488 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50517082
(CHEMBL4466537)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H13ClF3N3O3S/c16-13-6-3-10(7-12(13)15(17,18)19)22-14(23)21-8-9-1-4-11(5-2-9)26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 514 | 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 CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517090
(CHEMBL4578946)Show SMILES NS(=O)(=O)c1ccc(OCCCCCCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C27H28ClF3N4O5S/c28-24-14-9-20(17-23(24)27(29,30)31)35-26(37)34-19-7-5-18(6-8-19)25(36)33-15-3-1-2-4-16-40-21-10-12-22(13-11-21)41(32,38)39/h5-14,17H,1-4,15-16H2,(H,33,36)(H2,32,38,39)(H2,34,35,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 585 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517086
(CHEMBL4468382)Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-10-3-1-7(5-9(10)14(16,17)18)20-13(23)21-11-6-8(26(19,24)25)2-4-12(11)22/h1-6,22H,(H2,19,24,25)(H2,20,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 745 | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517082
(CHEMBL4466537)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C15H13ClF3N3O3S/c16-13-6-3-10(7-12(13)15(17,18)19)22-14(23)21-8-9-1-4-11(5-2-9)26(20,24)25/h1-7H,8H2,(H2,20,24,25)(H2,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 801 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517086
(CHEMBL4468382)Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-10-3-1-7(5-9(10)14(16,17)18)20-13(23)21-11-6-8(26(19,24)25)2-4-12(11)22/h1-6,22H,(H2,19,24,25)(H2,20,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 893 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517087
(CHEMBL4457039)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H15ClF3N3O3S/c17-14-6-3-11(9-13(14)16(18,19)20)23-15(24)22-8-7-10-1-4-12(5-2-10)27(21,25)26/h1-6,9H,7-8H2,(H2,21,25,26)(H2,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 911 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50517087
(CHEMBL4457039)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H15ClF3N3O3S/c17-14-6-3-11(9-13(14)16(18,19)20)23-15(24)22-8-7-10-1-4-12(5-2-10)27(21,25)26/h1-6,9H,7-8H2,(H2,21,25,26)(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 913 | 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 CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517092
(CHEMBL4549365)Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O3S/c15-12-5-4-9(7-11(12)14(16,17)18)21-13(22)20-8-2-1-3-10(6-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 916 | 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 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517081
(CHEMBL4462083)Show SMILES NS(=O)(=O)c1ccc(OCCCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C24H22ClF3N4O5S/c25-21-11-6-17(14-20(21)24(26,27)28)32-23(34)31-16-4-2-15(3-5-16)22(33)30-12-1-13-37-18-7-9-19(10-8-18)38(29,35)36/h2-11,14H,1,12-13H2,(H,30,33)(H2,29,35,36)(H2,31,32,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 933 | 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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517093
(CHEMBL4450067)Show SMILES Cc1cc(=O)oc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc12 Show InChI InChI=1S/C18H12ClF3N2O3/c1-9-6-16(25)27-15-8-11(2-4-12(9)15)24-17(26)23-10-3-5-14(19)13(7-10)18(20,21)22/h2-8H,1H3,(H2,23,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.59E+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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517084
(CHEMBL4472017)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)C(=O)NCCOc2ccc3oc(=O)ccc3c2)ccc1Cl Show InChI InChI=1S/C26H19ClF3N3O5/c27-21-8-6-18(14-20(21)26(28,29)30)33-25(36)32-17-4-1-15(2-5-17)24(35)31-11-12-37-19-7-9-22-16(13-19)3-10-23(34)38-22/h1-10,13-14H,11-12H2,(H,31,35)(H2,32,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.25E+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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517083
(CHEMBL4462101)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C23H20ClF3N4O4S/c24-20-10-7-17(13-19(20)23(25,26)27)31-22(33)30-16-5-3-15(4-6-16)21(32)29-12-11-14-1-8-18(9-2-14)36(28,34)35/h1-10,13H,11-12H2,(H,29,32)(H2,28,34,35)(H2,30,31,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.66E+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 CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517083
(CHEMBL4462101)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc1 Show InChI InChI=1S/C23H20ClF3N4O4S/c24-20-10-7-17(13-19(20)23(25,26)27)31-22(33)30-16-5-3-15(4-6-16)21(32)29-12-11-14-1-8-18(9-2-14)36(28,34)35/h1-10,13H,11-12H2,(H,29,32)(H2,28,34,35)(H2,30,31,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30E+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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517091
(CHEMBL4455031)Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)C(=O)NCCOc2ccc3ccc(=O)oc3c2)ccc1Cl Show InChI InChI=1S/C26H19ClF3N3O5/c27-21-9-7-18(13-20(21)26(28,29)30)33-25(36)32-17-5-1-16(2-6-17)24(35)31-11-12-37-19-8-3-15-4-10-23(34)38-22(15)14-19/h1-10,13-14H,11-12H2,(H,31,35)(H2,32,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.41E+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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517087
(CHEMBL4457039)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H15ClF3N3O3S/c17-14-6-3-11(9-13(14)16(18,19)20)23-15(24)22-8-7-10-1-4-12(5-2-10)27(21,25)26/h1-6,9H,7-8H2,(H2,21,25,26)(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 3.97E+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 CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50517086
(CHEMBL4468382)Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C14H11ClF3N3O4S/c15-10-3-1-7(5-9(10)14(16,17)18)20-13(23)21-11-6-8(26(19,24)25)2-4-12(11)22/h1-6,22H,(H2,19,24,25)(H2,20,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.04E+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 CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this Ligand-Target Pair | |