Found 6 hits for monomerid = 50330331 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)) | BDBM50330331
(CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis |
Eur J Med Chem 45: 4769-73 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50330331
(CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis |
Eur J Med Chem 45: 4769-73 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50330331
(CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry |
Eur J Med Chem 45: 4769-73 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50330331
(CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry |
Eur J Med Chem 45: 4769-73 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50330331
(CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry |
Eur J Med Chem 45: 4769-73 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50330331
(CHEMBL1276021 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxobu...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C27H26N8O8S2/c1-4-42-24(38)19-21(23(37)29-26-32-33-27(44-26)45(28,40)41)34-35(22(19)16-10-7-6-8-11-16)18-13-9-12-17(14-18)30-31-20(15(3)36)25(39)43-5-2/h6-14,30H,4-5H2,1-3H3,(H2,28,40,41)(H,29,32,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry |
Eur J Med Chem 45: 4769-73 (2010)
Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796 |
More data for this Ligand-Target Pair | |