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BDBM103345 US8546392, 69

SMILES: COc1ccc2cc(ccc2c1)-c1cc(OC)cc(c1)C(=O)Nc1ccccc1

InChI Key: InChIKey=VAQWWCNEZPETPC-UHFFFAOYSA-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 = 103345   
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM103345
PNG
(US8546392, 69)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(OC)cc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H21NO3/c1-28-23-11-10-17-12-18(8-9-19(17)14-23)20-13-21(16-24(15-20)29-2)25(27)26-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,26,27)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 601n/an/an/an/an/an/a



Universitaet des Saarlandes

US Patent


Assay Description
The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5...


US Patent US8546392 (2013)


BindingDB Entry DOI: 10.7270/Q2WW7G8P
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM103345
PNG
(US8546392, 69)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(OC)cc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H21NO3/c1-28-23-11-10-17-12-18(8-9-19(17)14-23)20-13-21(16-24(15-20)29-2)25(27)26-22-6-4-3-5-7-22/h3-16H,1-2H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7n/an/an/an/an/an/a



Universitaet des Saarlandes

US Patent


Assay Description
The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5...


US Patent US8546392 (2013)


BindingDB Entry DOI: 10.7270/Q2WW7G8P
More data for this
Ligand-Target Pair