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BDBM50330999 CHEMBL1277708::[5-(4-Hydroxy-3-methylphenyl)-2-thienyl](3-hydroxyphenyl)-methanone

SMILES: Cc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1

InChI Key: InChIKey=SHMWBFSCYSEXIS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50330999   
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))
BDBM50330999
PNG
(CHEMBL1277708 | [5-(4-Hydroxy-3-methylphenyl)-2-th...)
Show SMILES Cc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-9-12(5-6-15(11)20)16-7-8-17(22-16)18(21)13-3-2-4-14(19)10-13/h2-10,19-20H,1H3
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 27n/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
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50330999
PNG
(CHEMBL1277708 | [5-(4-Hydroxy-3-methylphenyl)-2-th...)
Show SMILES Cc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-9-12(5-6-15(11)20)16-7-8-17(22-16)18(21)13-3-2-4-14(19)10-13/h2-10,19-20H,1H3
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 8n/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))
BDBM50330999
PNG
(CHEMBL1277708 | [5-(4-Hydroxy-3-methylphenyl)-2-th...)
Show SMILES Cc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-9-12(5-6-15(11)20)16-7-8-17(22-16)18(21)13-3-2-4-14(19)10-13/h2-10,19-20H,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 382n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50330999
PNG
(CHEMBL1277708 | [5-(4-Hydroxy-3-methylphenyl)-2-th...)
Show SMILES Cc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-9-12(5-6-15(11)20)16-7-8-17(22-16)18(21)13-3-2-4-14(19)10-13/h2-10,19-20H,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 382n/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))
BDBM50330999
PNG
(CHEMBL1277708 | [5-(4-Hydroxy-3-methylphenyl)-2-th...)
Show SMILES Cc1cc(ccc1O)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H14O3S/c1-11-9-12(5-6-15(11)20)16-7-8-17(22-16)18(21)13-3-2-4-14(19)10-13/h2-10,19-20H,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 8n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic 17beta-HSD1 in cell-free system using [2,4,6,7-3H]E1 as substrate after 10 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair