Found 6 hits for monomerid = 50259373 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)) | BDBM50259373
(CHEMBL507085 | tert-Butyl2-((3-(4-benzoyl-5-phenyl...)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)OC(C)(C)C |w:4.4| Show InChI InChI=1S/C33H30N8O7S2/c1-19(42)25(30(45)48-33(2,3)4)37-36-22-16-11-17-23(18-22)41-27(20-12-7-5-8-13-20)24(28(43)21-14-9-6-10-15-21)26(40-41)29(44)35-31-38-39-32(49-31)50(34,46)47/h5-18,36H,1-4H3,(H2,34,46,47)(H,35,38,44) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | 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)) | BDBM50259373
(CHEMBL507085 | tert-Butyl2-((3-(4-benzoyl-5-phenyl...)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)OC(C)(C)C |w:4.4| Show InChI InChI=1S/C33H30N8O7S2/c1-19(42)25(30(45)48-33(2,3)4)37-36-22-16-11-17-23(18-22)41-27(20-12-7-5-8-13-20)24(28(43)21-14-9-6-10-15-21)26(40-41)29(44)35-31-38-39-32(49-31)50(34,46)47/h5-18,36H,1-4H3,(H2,34,46,47)(H,35,38,44) | 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
| 150 | 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)) | BDBM50259373
(CHEMBL507085 | tert-Butyl2-((3-(4-benzoyl-5-phenyl...)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)OC(C)(C)C |w:4.4| Show InChI InChI=1S/C33H30N8O7S2/c1-19(42)25(30(45)48-33(2,3)4)37-36-22-16-11-17-23(18-22)41-27(20-12-7-5-8-13-20)24(28(43)21-14-9-6-10-15-21)26(40-41)29(44)35-31-38-39-32(49-31)50(34,46)47/h5-18,36H,1-4H3,(H2,34,46,47)(H,35,38,44) | 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 | 410 | 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)) | BDBM50259373
(CHEMBL507085 | tert-Butyl2-((3-(4-benzoyl-5-phenyl...)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)OC(C)(C)C |w:4.4| Show InChI InChI=1S/C33H30N8O7S2/c1-19(42)25(30(45)48-33(2,3)4)37-36-22-16-11-17-23(18-22)41-27(20-12-7-5-8-13-20)24(28(43)21-14-9-6-10-15-21)26(40-41)29(44)35-31-38-39-32(49-31)50(34,46)47/h5-18,36H,1-4H3,(H2,34,46,47)(H,35,38,44) | 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 | 90 | 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)) | BDBM50259373
(CHEMBL507085 | tert-Butyl2-((3-(4-benzoyl-5-phenyl...)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)OC(C)(C)C |w:4.4| Show InChI InChI=1S/C33H30N8O7S2/c1-19(42)25(30(45)48-33(2,3)4)37-36-22-16-11-17-23(18-22)41-27(20-12-7-5-8-13-20)24(28(43)21-14-9-6-10-15-21)26(40-41)29(44)35-31-38-39-32(49-31)50(34,46)47/h5-18,36H,1-4H3,(H2,34,46,47)(H,35,38,44) | 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 | 20 | 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)) | BDBM50259373
(CHEMBL507085 | tert-Butyl2-((3-(4-benzoyl-5-phenyl...)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)OC(C)(C)C |w:4.4| Show InChI InChI=1S/C33H30N8O7S2/c1-19(42)25(30(45)48-33(2,3)4)37-36-22-16-11-17-23(18-22)41-27(20-12-7-5-8-13-20)24(28(43)21-14-9-6-10-15-21)26(40-41)29(44)35-31-38-39-32(49-31)50(34,46)47/h5-18,36H,1-4H3,(H2,34,46,47)(H,35,38,44) | 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 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 | |