Found 6 hits for monomerid = 50330333 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)) | BDBM50330333
(CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 30 | 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)) | BDBM50330333
(CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39) | 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
| 110 | 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)) | BDBM50330333
(CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39) | 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)) | BDBM50330333
(CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39) | 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 | 100 | 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)) | BDBM50330333
(CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39) | 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 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)) | BDBM50330333
(CHEMBL1276023 | Ethyl1-(3-(2-(1-tert-butoxy-1,3-di...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(NN=C(C(C)=O)C(=O)OC(C)(C)C)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.23| Show InChI InChI=1S/C29H30N8O8S2/c1-6-44-25(40)20-22(24(39)31-27-34-35-28(46-27)47(30,42)43)36-37(23(20)17-11-8-7-9-12-17)19-14-10-13-18(15-19)32-33-21(16(2)38)26(41)45-29(3,4)5/h7-15,32H,6H2,1-5H3,(H2,30,42,43)(H,31,34,39) | 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 | 40 | 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 | |