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1 similar compounds to monomer 50331002

Compile data set for download or QSAR
Wt: 296.3
BDBM50330991

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50330991   
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 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330991
PNG
((3-hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-6-4-11(5-7-13)15-8-9-16(21-15)17(20)12-2-1-3-14(19)10-12/h1-10,18-19H
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50330991
PNG
((3-hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-6-4-11(5-7-13)15-8-9-16(21-15)17(20)12-2-1-3-14(19)10-12/h1-10,18-19H
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 478n/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))
BDBM50330991
PNG
((3-hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C17H12O3S/c18-13-6-4-11(5-7-13)15-8-9-16(21-15)17(20)12-2-1-3-14(19)10-12/h1-10,18-19H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1 in human T47D cells using [2,4,6,7-3H]-estrone as substrate after 30 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