Found 6 hits for monomerid = 50259371 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 1
(Homo sapiens (Human)) | BDBM50259371
(CHEMBL445982 | Ethyl-2-((3-(4-benzoyl-5-phenyl-3-(...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-17-10-5-11-18-24)40-39-25-19-12-20-26(21-25)44-30(22-13-6-3-7-14-22)27(31(45)23-15-8-4-9-16-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47) | 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
| 81 | 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 |
Bioorg Med Chem 17: 3295-301 (2009)
Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50259371
(CHEMBL445982 | Ethyl-2-((3-(4-benzoyl-5-phenyl-3-(...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-17-10-5-11-18-24)40-39-25-19-12-20-26(21-25)44-30(22-13-6-3-7-14-22)27(31(45)23-15-8-4-9-16-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 580 | 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 |
Bioorg Med Chem 17: 3295-301 (2009)
Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50259371
(CHEMBL445982 | Ethyl-2-((3-(4-benzoyl-5-phenyl-3-(...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-17-10-5-11-18-24)40-39-25-19-12-20-26(21-25)44-30(22-13-6-3-7-14-22)27(31(45)23-15-8-4-9-16-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47) | 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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description Inhibition of CO2-hydratase activity of human carbonic anhydrase 2 by CO2 hydration method |
Bioorg Med Chem 17: 3295-301 (2009)
Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50259371
(CHEMBL445982 | Ethyl-2-((3-(4-benzoyl-5-phenyl-3-(...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-17-10-5-11-18-24)40-39-25-19-12-20-26(21-25)44-30(22-13-6-3-7-14-22)27(31(45)23-15-8-4-9-16-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47) | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method |
Bioorg Med Chem 17: 3295-301 (2009)
Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50259371
(CHEMBL445982 | Ethyl-2-((3-(4-benzoyl-5-phenyl-3-(...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-17-10-5-11-18-24)40-39-25-19-12-20-26(21-25)44-30(22-13-6-3-7-14-22)27(31(45)23-15-8-4-9-16-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47) | 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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description Inhibition of CO2-hydratase activity of human carbonic anhydrase 1 by CO2 hydration method |
Bioorg Med Chem 17: 3295-301 (2009)
Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50259371
(CHEMBL445982 | Ethyl-2-((3-(4-benzoyl-5-phenyl-3-(...)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-17-10-5-11-18-24)40-39-25-19-12-20-26(21-25)44-30(22-13-6-3-7-14-22)27(31(45)23-15-8-4-9-16-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47) | 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 esterase activity of human carbonic anhydrase 2 by CO2 hydration method |
Bioorg Med Chem 17: 3295-301 (2009)
Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F |
More data for this Ligand-Target Pair | |