Found 5 hits for monomerid = 50259325 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)) | BDBM50259325
(CHEMBL467098 | Ethyl-1-(3-aminophenyl)-5-phenyl-3-...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(N)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H19N7O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2,22H2,1H3,(H2,23,31,32)(H,24,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.09E+3 | 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 1
(Homo sapiens (Human)) | BDBM50259325
(CHEMBL467098 | Ethyl-1-(3-aminophenyl)-5-phenyl-3-...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(N)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H19N7O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2,22H2,1H3,(H2,23,31,32)(H,24,25,29) | 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 | 3.25E+3 | 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)) | BDBM50259325
(CHEMBL467098 | Ethyl-1-(3-aminophenyl)-5-phenyl-3-...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(N)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H19N7O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2,22H2,1H3,(H2,23,31,32)(H,24,25,29) | 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 | 55 | 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 2
(Homo sapiens (Human)) | BDBM50259325
(CHEMBL467098 | Ethyl-1-(3-aminophenyl)-5-phenyl-3-...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(N)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H19N7O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2,22H2,1H3,(H2,23,31,32)(H,24,25,29) | 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 | 13 | 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 | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50259325
(CHEMBL467098 | Ethyl-1-(3-aminophenyl)-5-phenyl-3-...)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(N)c1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H19N7O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-6-9-13(22)11-14)17(15)12-7-4-3-5-8-12/h3-11H,2,22H2,1H3,(H2,23,31,32)(H,24,25,29) | 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 | 210 | 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 | |