Found 5 hits for monomerid = 50494684 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)) | BDBM50494684
(CHEMBL3092811)Show SMILES CCCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H50N4O11S/c1-5-9-16-27(39)45-22-26-31(47-28(40)17-10-6-2)32(48-29(41)18-11-7-3)33(49-30(42)19-12-8-4)34(46-26)38-21-25(36-37-38)23-14-13-15-24(20-23)50(35,43)44/h13-15,20-21,26,31-34H,5-12,16-19,22H2,1-4H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 8 | 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 12
(Homo sapiens (Human)) | BDBM50494684
(CHEMBL3092811)Show SMILES CCCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H50N4O11S/c1-5-9-16-27(39)45-22-26-31(47-28(40)17-10-6-2)32(48-29(41)18-11-7-3)33(49-30(42)19-12-8-4)34(46-26)38-21-25(36-37-38)23-14-13-15-24(20-23)50(35,43)44/h13-15,20-21,26,31-34H,5-12,16-19,22H2,1-4H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 43 | 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 1
(Homo sapiens (Human)) | BDBM50494684
(CHEMBL3092811)Show SMILES CCCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H50N4O11S/c1-5-9-16-27(39)45-22-26-31(47-28(40)17-10-6-2)32(48-29(41)18-11-7-3)33(49-30(42)19-12-8-4)34(46-26)38-21-25(36-37-38)23-14-13-15-24(20-23)50(35,43)44/h13-15,20-21,26,31-34H,5-12,16-19,22H2,1-4H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 74 | 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 | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50494684
(CHEMBL3092811)Show SMILES CCCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H50N4O11S/c1-5-9-16-27(39)45-22-26-31(47-28(40)17-10-6-2)32(48-29(41)18-11-7-3)33(49-30(42)19-12-8-4)34(46-26)38-21-25(36-37-38)23-14-13-15-24(20-23)50(35,43)44/h13-15,20-21,26,31-34H,5-12,16-19,22H2,1-4H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 148 | 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)) | BDBM50494684
(CHEMBL3092811)Show SMILES CCCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@H]1OC(=O)CCCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H50N4O11S/c1-5-9-16-27(39)45-22-26-31(47-28(40)17-10-6-2)32(48-29(41)18-11-7-3)33(49-30(42)19-12-8-4)34(46-26)38-21-25(36-37-38)23-14-13-15-24(20-23)50(35,43)44/h13-15,20-21,26,31-34H,5-12,16-19,22H2,1-4H3,(H2,35,43,44)/t26-,31+,32+,33-,34-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 800 | 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 | |
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