Found 4 hits for monomerid = 50051103 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 9
(Homo sapiens (Human)) | BDBM50051103
(CHEMBL3311027)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)16-11-9-15(10-12-16)19(23)20-17-7-5-6-8-18(17)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 3982-8 (2014)
Article DOI: 10.1016/j.bmc.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ST7RHH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50051103
(CHEMBL3311027)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)16-11-9-15(10-12-16)19(23)20-17-7-5-6-8-18(17)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 3982-8 (2014)
Article DOI: 10.1016/j.bmc.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ST7RHH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50051103
(CHEMBL3311027)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)16-11-9-15(10-12-16)19(23)20-17-7-5-6-8-18(17)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 352 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 3982-8 (2014)
Article DOI: 10.1016/j.bmc.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ST7RHH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50051103
(CHEMBL3311027)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C19H23N3O5S/c1-3-13-21(14-4-2)28(26,27)16-11-9-15(10-12-16)19(23)20-17-7-5-6-8-18(17)22(24)25/h5-12H,3-4,13-14H2,1-2H3,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 22: 3982-8 (2014)
Article DOI: 10.1016/j.bmc.2014.06.003 BindingDB Entry DOI: 10.7270/Q2ST7RHH |
More data for this Ligand-Target Pair | |