Found 4 hits for monomerid = 50369887 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 2
(Homo sapiens (Human)) | BDBM50369887
(CHEMBL4166970)Show SMILES CC(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 7.60 | 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 human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50369887
(CHEMBL4166970)Show SMILES CC(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 8.80 | 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 human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ba... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50369887
(CHEMBL4166970)Show SMILES CC(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 67 | 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 human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |
Carbonic anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50369887
(CHEMBL4166970)Show SMILES CC(=O)N1CCN(C[C@@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 84 | 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 human transmembrane tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to tes... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002 BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this Ligand-Target Pair | |