Found 24 hits for monomerid = 50454312 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)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 32 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 1 (3 to 261 residues) expressed in Escherichia coli BL21 (DE3) assess... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 2.22E+3 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 1 (3 to 261 residues) expressed in Escherichia coli BL21 (DE3) in pre... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 0.830 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) in p... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 0.950 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 2 (1 to 260 residues) expressed in Escherichia coli BL21 (... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13 (CA XIII)
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 ... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 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 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluores... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 35 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) in pres... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6 (CA-VI)
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluo... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase V
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 250 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluo... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 0.00500 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) asse... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13 (CA XIII)
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 ... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 0.310 | 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 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissoc... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 0.0200 | 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 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissoci... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase V
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3)... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic diss... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase III
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 63 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6 (CA-VI)
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic diss... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase V
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escher... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 50 | 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 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluore... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase V
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escher... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase III
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 1.67E+4 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) in pre... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 133 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 2 (1 to 260 residues) expressed in Escherichia coli BL21 (... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50454312
(CHEMBL4205449)Show SMILES NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc23)c(SC2CCCCC2)cc1Cl Show InChI InChI=1S/C20H21ClN4O3S2/c21-15-11-18(29-13-6-2-1-3-7-13)14(10-19(15)30(22,27)28)20(26)24-25-12-23-16-8-4-5-9-17(16)25/h4-5,8-13H,1-3,6-7H2,(H,24,26)(H2,22,27,28) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) assesse... |
Bioorg Med Chem 26: 675-687 (2018)
Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0 |
More data for this Ligand-Target Pair | |