Found 5 hits for monomerid = 50494695 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 12
(Homo sapiens (Human)) | BDBM50494695
(CHEMBL3092943)Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23-,24+,25-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay |
J Med Chem 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50494695
(CHEMBL3092943)Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23-,24+,25-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay |
J Med Chem 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50494695
(CHEMBL3092943)Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23-,24+,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 256 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay |
J Med Chem 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50494695
(CHEMBL3092943)Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23-,24+,25-,26-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 475 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay |
J Med Chem 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50494695
(CHEMBL3092943)Show SMILES CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C26H34N4O11S/c1-5-19(31)37-14-18-23(39-20(32)6-2)24(40-21(33)7-3)25(41-22(34)8-4)26(38-18)30-13-17(28-29-30)15-9-11-16(12-10-15)42(27,35)36/h9-13,18,23-26H,5-8,14H2,1-4H3,(H2,27,35,36)/t18-,23-,24+,25-,26-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay |
J Med Chem 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e
BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this
Ligand-Target Pair | |
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