BindingDB logo
myBDB logout

PubMed code 17696419

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50219531
PNG
(17beta-carbamoyloxy-3-sulfamoyloxyestra-1,3,5(10)-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC[C@@H]2OC(N)=O
Show InChI InChI=1S/C19H26N2O5S/c1-19-9-8-14-13-5-3-12(26-27(21,23)24)10-11(13)2-4-15(14)16(19)6-7-17(19)25-18(20)22/h3,5,10,14-17H,2,4,6-9H2,1H3,(H2,20,22)(H2,21,23,24)/t14-,15-,16+,17+,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in placental microsomes


J Med Chem 50: 4431-43 (2007)


Article DOI: 10.1021/jm070405v
BindingDB Entry DOI: 10.7270/Q2765F21
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50219532
PNG
(17beta-Carbamoyloxy-2-methoxy-3-sulfamoyloxyestra-...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O)OC(N)=O
Show InChI InChI=1S/C20H28N2O6S/c1-20-8-7-12-13(15(20)5-6-18(20)27-19(21)23)4-3-11-9-17(28-29(22,24)25)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,21,23)(H2,22,24,25)/t12-,13+,15-,18-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in placental microsomes


J Med Chem 50: 4431-43 (2007)


Article DOI: 10.1021/jm070405v
BindingDB Entry DOI: 10.7270/Q2765F21
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%