Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50042495 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50426824
(CHEMBL2323139)Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay |
Bioorg Med Chem Lett 23: 740-3 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50426828
(CHEMBL2323135)Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10| Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay |
Bioorg Med Chem Lett 23: 740-3 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM26187
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay |
Bioorg Med Chem Lett 23: 740-3 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50426826
(CHEMBL2323137)Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10| Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay |
Bioorg Med Chem Lett 23: 740-3 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50426823
(CHEMBL2323140)Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay |
Bioorg Med Chem Lett 23: 740-3 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50426829
(CHEMBL2323134)Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10| Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay |
Bioorg Med Chem Lett 23: 740-3 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50426827
(CHEMBL2323136)Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10| Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay |
Bioorg Med Chem Lett 23: 740-3 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50426825
(CHEMBL2323138)Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay |
Bioorg Med Chem Lett 23: 740-3 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50426823
(CHEMBL2323140)Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7| Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Rosario
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow assay |
Bioorg Med Chem Lett 23: 740-3 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.085
BindingDB Entry DOI: 10.7270/Q2N58NP3 |
More data for this
Ligand-Target Pair | |
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