Found 4 hits for monomerid = 50532053 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)) | BDBM50532053
(CHEMBL3622044)Show SMILES COc1cc2CN(Cc3cc(OC)c(OC)c(OC)c3)CCc2cc1OS(N)(=O)=O Show InChI InChI=1S/C20H26N2O7S/c1-25-16-10-15-12-22(6-5-14(15)9-17(16)29-30(21,23)24)11-13-7-18(26-2)20(28-4)19(8-13)27-3/h7-10H,5-6,11-12H2,1-4H3,(H2,21,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 by stopped-flow CO2 hydration assay |
J Med Chem 62: 2202-2212 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01990 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50532053
(CHEMBL3622044)Show SMILES COc1cc2CN(Cc3cc(OC)c(OC)c(OC)c3)CCc2cc1OS(N)(=O)=O Show InChI InChI=1S/C20H26N2O7S/c1-25-16-10-15-12-22(6-5-14(15)9-17(16)29-30(21,23)24)11-13-7-18(26-2)20(28-4)19(8-13)27-3/h7-10H,5-6,11-12H2,1-4H3,(H2,21,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase 2 (unknown origin) by stopped-flow CO2 hydration assay |
J Med Chem 62: 2202-2212 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01990 |
More data for this Ligand-Target Pair | |
Carbonic anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50532053
(CHEMBL3622044)Show SMILES COc1cc2CN(Cc3cc(OC)c(OC)c(OC)c3)CCc2cc1OS(N)(=O)=O Show InChI InChI=1S/C20H26N2O7S/c1-25-16-10-15-12-22(6-5-14(15)9-17(16)29-30(21,23)24)11-13-7-18(26-2)20(28-4)19(8-13)27-3/h7-10H,5-6,11-12H2,1-4H3,(H2,21,23,24) | 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 | 240 | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 by isothermal calorimetry assay |
J Med Chem 62: 2202-2212 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01990 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50532053
(CHEMBL3622044)Show SMILES COc1cc2CN(Cc3cc(OC)c(OC)c(OC)c3)CCc2cc1OS(N)(=O)=O Show InChI InChI=1S/C20H26N2O7S/c1-25-16-10-15-12-22(6-5-14(15)9-17(16)29-30(21,23)24)11-13-7-18(26-2)20(28-4)19(8-13)27-3/h7-10H,5-6,11-12H2,1-4H3,(H2,21,23,24) | 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 | 1.62E+3 | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase 2 (unknown origin) by isothermal calorimetry assay |
J Med Chem 62: 2202-2212 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01990 |
More data for this Ligand-Target Pair | |