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BDBM50441521 CHEMBL2436731

SMILES: CN(c1cccc(c1)-c1cccc(O)c1)S(=O)(=O)c1ccc(F)c(O)c1

InChI Key: InChIKey=IHWGKAPGEIXWAJ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50441521   
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))
BDBM50441521
PNG
(CHEMBL2436731)
Show SMILES CN(c1cccc(c1)-c1cccc(O)c1)S(=O)(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H16FNO4S/c1-21(26(24,25)17-8-9-18(20)19(23)12-17)15-6-2-4-13(10-15)14-5-3-7-16(22)11-14/h2-12,22-23H,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabeled, [2,4,6,7-3H]-estradiol as substrate after 20 mins by HPLC analysis in p...


Eur J Med Chem 69: 201-15 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.026
BindingDB Entry DOI: 10.7270/Q2639R58
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50441521
PNG
(CHEMBL2436731)
Show SMILES CN(c1cccc(c1)-c1cccc(O)c1)S(=O)(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C19H16FNO4S/c1-21(26(24,25)17-8-9-18(20)19(23)12-17)15-6-2-4-13(10-15)14-5-3-7-16(22)11-14/h2-12,22-23H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 238n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabeled, [2,4,6,7-3H]-estrone as substrate after 20 mins by HPLC analysis in pres...


Eur J Med Chem 69: 201-15 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.026
BindingDB Entry DOI: 10.7270/Q2639R58
More data for this
Ligand-Target Pair