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BDBM50330998 (5-(2-fluoro-3-hydroxyphenyl)thiophen-2-yl)(3-hydroxyphenyl)methanone::CHEMBL1277617

SMILES: Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1F

InChI Key: InChIKey=RDAJIOLTWQMUSV-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 = 50330998   
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))
BDBM50330998
PNG
((5-(2-fluoro-3-hydroxyphenyl)thiophen-2-yl)(3-hydr...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1F
Show InChI InChI=1S/C17H11FO3S/c18-16-12(5-2-6-13(16)20)14-7-8-15(22-14)17(21)10-3-1-4-11(19)9-10/h1-9,19-20H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/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))
BDBM50330998
PNG
((5-(2-fluoro-3-hydroxyphenyl)thiophen-2-yl)(3-hydr...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(O)c1F
Show InChI InChI=1S/C17H11FO3S/c18-16-12(5-2-6-13(16)20)14-7-8-15(22-14)17(21)10-3-1-4-11(19)9-10/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 6n/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