Found 48 hits of Enzyme Inhibition Constant Data 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 12
(Homo sapiens (Human)) | BDBM50294475
((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)Show SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/t14-,15+,16-,17+,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023595
(CHEMBL3329926)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023596
(CHEMBL3329925)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023603
(CHEMBL3329929)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023598
(CHEMBL3329931)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023597
(CHEMBL3329924)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023600
(CHEMBL3329922)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023604
(CHEMBL3329930)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC |r| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/b5-3+/t14-,15+,16-,17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023602
(CHEMBL3329928)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 236 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023601
(CHEMBL3329923)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 413 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023595
(CHEMBL3329926)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023599
(CHEMBL3329921)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 421 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50294475
((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)Show SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/t14-,15+,16-,17+,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 438 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023602
(CHEMBL3329928)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20+,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 462 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023598
(CHEMBL3329931)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20-,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 485 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023600
(CHEMBL3329922)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 541 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023604
(CHEMBL3329930)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC |r| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/b5-3+/t14-,15+,16-,17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 552 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023601
(CHEMBL3329923)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28+,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 589 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023594
(CHEMBL3329927)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16+,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 615 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023596
(CHEMBL3329925)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25-,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 629 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023597
(CHEMBL3329924)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 653 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023601
(CHEMBL3329923)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28+,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 673 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023594
(CHEMBL3329927)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16+,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 682 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023600
(CHEMBL3329922)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25+,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 753 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023596
(CHEMBL3329925)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 773 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023599
(CHEMBL3329921)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24+,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 779 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50023599
(CHEMBL3329921)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24+,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50294475
((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)Show SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/t14-,15+,16-,17+,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023604
(CHEMBL3329930)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC |r| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/b5-3+/t14-,15+,16-,17-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 936 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50023603
(CHEMBL3329929)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023596
(CHEMBL3329925)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023599
(CHEMBL3329921)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24+,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50294475
((E)-4-(3,4-dimethoxyphenyl)-1-((2S,3R,4R,5S,6R)-3,...)Show SMILES COc1ccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC |r,w:7.7| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/t14-,15+,16-,17+,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023595
(CHEMBL3329926)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023598
(CHEMBL3329931)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20-,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023594
(CHEMBL3329927)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16+,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023604
(CHEMBL3329930)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1OC |r| Show InChI InChI=1S/C18H24O8/c1-24-12-6-4-10(7-13(12)25-2)3-5-11(20)8-14-16(21)18(23)17(22)15(9-19)26-14/h3-7,14-19,21-23H,8-9H2,1-2H3/b5-3+/t14-,15+,16-,17-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023600
(CHEMBL3329922)Show SMILES COc1ccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OC |r| Show InChI InChI=1S/C26H32O12/c1-14(27)34-13-23-25(36-16(3)29)26(37-17(4)30)24(35-15(2)28)22(38-23)12-19(31)9-7-18-8-10-20(32-5)21(11-18)33-6/h7-11,22-26H,12-13H2,1-6H3/b9-7+/t22-,23+,24-,25+,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023603
(CHEMBL3329929)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023597
(CHEMBL3329924)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023603
(CHEMBL3329929)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023595
(CHEMBL3329926)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023602
(CHEMBL3329928)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023602
(CHEMBL3329928)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20+,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023597
(CHEMBL3329924)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1 |r| Show InChI InChI=1S/C25H30O11/c1-14(26)32-13-22-24(34-16(3)28)25(35-17(4)29)23(33-15(2)27)21(36-22)12-19(30)10-9-18-7-6-8-20(11-18)31-5/h6-11,21-25H,12-13H2,1-5H3/b10-9+/t21-,22+,23-,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50023601
(CHEMBL3329923)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1 |r| Show InChI InChI=1S/C29H32O11/c1-16(30)36-15-26-28(38-18(3)32)29(39-19(4)33)27(37-17(2)31)25(40-26)14-23(34)10-7-20-6-8-22-13-24(35-5)11-9-21(22)12-20/h6-13,25-29H,14-15H2,1-5H3/b10-7+/t25-,26+,27-,28+,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023594
(CHEMBL3329927)Show SMILES COc1cccc(\C=C\C(=O)C[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r| Show InChI InChI=1S/C17H22O7/c1-23-12-4-2-3-10(7-12)5-6-11(19)8-13-15(20)17(22)16(21)14(9-18)24-13/h2-7,13-18,20-22H,8-9H2,1H3/b6-5+/t13-,14+,15-,16+,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50023598
(CHEMBL3329931)Show SMILES COc1ccc2cc(\C=C\C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1 |r| Show InChI InChI=1S/C21H24O7/c1-27-16-7-5-13-8-12(2-4-14(13)9-16)3-6-15(23)10-17-19(24)21(26)20(25)18(11-22)28-17/h2-9,17-22,24-26H,10-11H2,1H3/b6-3+/t17-,18+,19-,20-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de La Plata
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 5308-14 (2014)
Article DOI: 10.1016/j.bmc.2014.07.052
BindingDB Entry DOI: 10.7270/Q2QZ2CKQ |
More data for this
Ligand-Target Pair | |
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