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BDBM50330994 (4-fluoro-3-hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone::CHEMBL1277522

SMILES: Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccc(F)c(O)c1

InChI Key: InChIKey=ABEQSTQSKGXZCH-UHFFFAOYSA-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 = 50330994   
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))
BDBM50330994
PNG
((4-fluoro-3-hydroxyphenyl)(5-(3-hydroxyphenyl)thio...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-5-4-11(9-14(13)20)17(21)16-7-6-15(22-16)10-2-1-3-12(19)8-10/h1-9,19-20H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330994
PNG
((4-fluoro-3-hydroxyphenyl)(5-(3-hydroxyphenyl)thio...)
Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C17H11FO3S/c18-13-5-4-11(9-14(13)20)17(21)16-7-6-15(22-16)10-2-1-3-12(19)8-10/h1-9,19-20H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins


J Med Chem 53: 8176-86 (2010)


Article DOI: 10.1021/jm101073q
BindingDB Entry DOI: 10.7270/Q2R49R0B
More data for this
Ligand-Target Pair