BindingDB logo
myBDB logout

BDBM13426 (15S)-4-methoxy-15-methyl-5-(sulfamoyloxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-yl sulfamate::oestrogen deriv. 11

SMILES: COc1cc2C3CC[C@]4(C)C(CCC4C3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O

InChI Key: InChIKey=AQSNIXKAKUZPSI-PSZKCFTONA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13426   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM13426
PNG
((15S)-4-methoxy-15-methyl-5-(sulfamoyloxy)tetracyc...)
Show SMILES COc1cc2C3CC[C@]4(C)C(CCC4C3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O |r|
Show InChI InChI=1/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12?,13?,15?,18?,19-/s2
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 39n/an/an/an/a7.537



St. Maryamppound39s Hospital



Assay Description
The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...


Biochem Biophys Res Commun 305: 909-14 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13426
PNG
((15S)-4-methoxy-15-methyl-5-(sulfamoyloxy)tetracyc...)
Show SMILES COc1cc2C3CC[C@]4(C)C(CCC4C3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O |r|
Show InChI InChI=1/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12?,13?,15?,18?,19-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 379n/an/an/an/a7.820



St. Maryamppound39s Hospital



Assay Description
The in vitro inhibition of carbonic anhydrase was assessed by a colorimetric assay. Carbonic anhydrase-catalysed hydrolysis of p-nitrophenyl acetate ...


Biochem Biophys Res Commun 305: 909-14 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)