Found 22 hits for monomerid = 50449832 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
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 anhydrase V
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 170 | 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 13 (CA XIII)
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.770 | 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 6 (CA-VI)
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.50E+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 XIV
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 77 | 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 13 (CA XIII)
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 540 | 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 by isothermal ti... |
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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.50E+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 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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 0.0130 | 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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 0.0470 | 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 anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 1.43E+3 | 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 III
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 1.59E+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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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 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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 0.880 | 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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.59E+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 anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 8.30 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human carbonic anhydrase 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 2
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 192 | 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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.60 | 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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 0.140 | 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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 49 | 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 III
(Homo sapiens (Human)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 60 | 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)) | BDBM50449832
(CHEMBL4165543)Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NC2CCCCC2)cc1Cl Show InChI InChI=1S/C16H24ClN3O4S/c17-13-10-14(20-11-5-2-1-3-6-11)12(9-15(13)25(18,23)24)16(22)19-7-4-8-21/h9-11,20-21H,1-8H2,(H,19,22)(H2,18,23,24) | 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 | 21 | 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 | |