Found 22 hits for monomerid = 50449814 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 anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 9 (38 to 414 residues) expressed in 293-F cells in presence of ANS by fluorescent thermal sh... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase III
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 333 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain in presence of ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13 (CA XIII)
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain in presence of A... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase V
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain assess... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase V
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 7.69E+3 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.0810 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as int... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.0350 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6 (CA-VI)
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant N-terminal His-tagged human carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) strain ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.33E+4 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli in presence of ANS by fluorescent thermal shift assay |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.00700 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 9 (38 to 414 residues) expressed in 293-F cells assessed as intrinsic Kd in presence of ANS ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase III
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain in presence of ANS by ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant N-terminal His-tagged human carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) strain ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase V
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain in pre... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13 (CA XIII)
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intr... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full-length human carbonic anhydrase 2 expressed in Escherichia coli in presence of ANS by fluorescent thermal shift ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6 (CA-VI)
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.0350 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full-length human carbonic anhydrase 2 expressed in Escherichia coli assessed as intrinsic Kd in presence of ANS by f... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli assessed as intrinsic Kd in presence of ANS by fluorescent t... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase V
(Homo sapiens (Human)) | BDBM50449814
(CHEMBL4163518)Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1NCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H22ClN3O3S/c1-2-3-9-21-18(23)14-10-17(26(20,24)25)15(19)11-16(14)22-12-13-7-5-4-6-8-13/h4-8,10-11,22H,2-3,9,12H2,1H3,(H,21,23)(H2,20,24,25) | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)... |
Eur J Med Chem 156: 61-78 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559 |
More data for this Ligand-Target Pair | |