Found 22 hits for monomerid = 50449837 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic Anhydrase III
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 V
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 42 | 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)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.18E+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)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 0.00400 | 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)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.33E+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 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)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 4.00E+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 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)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 0.00400 | 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 V
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.370 | 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 V
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.00E+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)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 25 | 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
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 125 | 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 2
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 40 | 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)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.190 | 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 XIV
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 15 | 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
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 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 13 (CA XIII)
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 2
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 0.0110 | 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 III
(Homo sapiens (Human)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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)) | BDBM50449837
(CHEMBL4176862)Show SMILES NS(=O)(=O)c1cc(C(=O)NCc2ccccc2)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C21H20ClN3O3S/c22-18-12-19(24-13-15-7-3-1-4-8-15)17(11-20(18)29(23,27)28)21(26)25-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2,(H,25,26)(H2,23,27,28) | 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 | 0.0310 | 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 | |