Found 5 hits for monomerid = 50528712 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)) | BDBM50528712
(CHEMBL4471248)Show SMILES CCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C21H36N4O4S/c1-2-3-4-5-6-7-8-9-14-24-15-17-25(18-16-24)21(26)23-19-10-12-20(13-11-19)29-30(22,27)28/h10-13H,2-9,14-18H2,1H3,(H,23,26)(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Carbonic anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50528712
(CHEMBL4471248)Show SMILES CCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C21H36N4O4S/c1-2-3-4-5-6-7-8-9-14-24-15-17-25(18-16-24)21(26)23-19-10-12-20(13-11-19)29-30(22,27)28/h10-13H,2-9,14-18H2,1H3,(H,23,26)(H2,22,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 3.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50528712
(CHEMBL4471248)Show SMILES CCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C21H36N4O4S/c1-2-3-4-5-6-7-8-9-14-24-15-17-25(18-16-24)21(26)23-19-10-12-20(13-11-19)29-30(22,27)28/h10-13H,2-9,14-18H2,1H3,(H,23,26)(H2,22,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 6.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50528712
(CHEMBL4471248)Show SMILES CCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C21H36N4O4S/c1-2-3-4-5-6-7-8-9-14-24-15-17-25(18-16-24)21(26)23-19-10-12-20(13-11-19)29-30(22,27)28/h10-13H,2-9,14-18H2,1H3,(H,23,26)(H2,22,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 4.19E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50528712
(CHEMBL4471248)Show SMILES CCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C21H36N4O4S/c1-2-3-4-5-6-7-8-9-14-24-15-17-25(18-16-24)21(26)23-19-10-12-20(13-11-19)29-30(22,27)28/h10-13H,2-9,14-18H2,1H3,(H,23,26)(H2,22,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Inhibition of steroid sulfatase in human JEG3 cell using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111614 |
More data for this
Ligand-Target Pair | |
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