Found 5 hits Enz. Inhib. hit(s) with Target = 'Steryl-sulfatase' and Ligand = 'BDBM50366322' 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 |
|---|
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50366322
(CHEMBL2367489)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[P@@](C)(S)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against estrone sulfatase in placental preparation |
Bioorg Med Chem Lett 3: 313-318 (1993)
Article DOI: 10.1016/S0960-894X(01)80900-8
BindingDB Entry DOI: 10.7270/Q2K074R2 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50366322
(CHEMBL2367489)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[P@@](C)(S)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against estrone sulfatase in breast tumor preparations |
Bioorg Med Chem Lett 3: 313-318 (1993)
Article DOI: 10.1016/S0960-894X(01)80900-8
BindingDB Entry DOI: 10.7270/Q2K074R2 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50366322
(CHEMBL2367489)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[P@@](C)(S)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition against estrone sulfatase in placental preparation |
Bioorg Med Chem Lett 3: 313-318 (1993)
Article DOI: 10.1016/S0960-894X(01)80900-8
BindingDB Entry DOI: 10.7270/Q2K074R2 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50366322
(CHEMBL2367489)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[P@@](C)(S)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of STS activity in human placental microsome |
J Med Chem 58: 7634-58 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00386
BindingDB Entry DOI: 10.7270/Q2474CP9 |
More data for this
Ligand-Target Pair | |
Steryl-sulfatase
(Homo sapiens (Human)) | BDBM50366322
(CHEMBL2367489)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[P@@](C)(S)=O)cc3CC[C@@]21[H] |r| Show InChI InChI=1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against estrone sulfatase in breast tumor preparations |
Bioorg Med Chem Lett 3: 313-318 (1993)
Article DOI: 10.1016/S0960-894X(01)80900-8
BindingDB Entry DOI: 10.7270/Q2K074R2 |
More data for this
Ligand-Target Pair | |
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