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BDBM50380216 CHEMBL364332

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Br)cc34)[C@@H]1CCC2=O

InChI Key: InChIKey=LCTDWKXSEKLVNB-JPVZDGGYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50380216   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50380216
PNG
(CHEMBL364332)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Br)cc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22BrNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)


Article DOI: 10.1016/j.bmc.2012.03.007
BindingDB Entry DOI: 10.7270/Q2XG9S4J
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50380216
PNG
(CHEMBL364332)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Br)cc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22BrNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)


Article DOI: 10.1016/j.bmc.2012.03.007
BindingDB Entry DOI: 10.7270/Q2XG9S4J
More data for this
Ligand-Target Pair