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BDBM50299645 4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol::CHEMBL569862

SMILES: Cc1cc(ccc1O)-c1csc(c1)-c1cccc(O)c1

InChI Key: InChIKey=STFVOGWUKNAWOF-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50299645   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50299645
PNG
(4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol |...)
Show SMILES Cc1cc(ccc1O)-c1csc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C17H14O2S/c1-11-7-12(5-6-16(11)19)14-9-17(20-10-14)13-3-2-4-15(18)8-13/h2-10,18-19H,1H3
PDB
MMDB

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Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17betaHSD1 by radiodetection assay


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50299645
PNG
(4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol |...)
Show SMILES Cc1cc(ccc1O)-c1csc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C17H14O2S/c1-11-7-12(5-6-16(11)19)14-9-17(20-10-14)13-3-2-4-15(18)8-13/h2-10,18-19H,1H3
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Article
PubMed
n/an/a 869n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17betaHSD2 by radiodetection assay


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50299645
PNG
(4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol |...)
Show SMILES Cc1cc(ccc1O)-c1csc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C17H14O2S/c1-11-7-12(5-6-16(11)19)14-9-17(20-10-14)13-3-2-4-15(18)8-13/h2-10,18-19H,1H3
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP3A4


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50299645
PNG
(4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol |...)
Show SMILES Cc1cc(ccc1O)-c1csc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C17H14O2S/c1-11-7-12(5-6-16(11)19)14-9-17(20-10-14)13-3-2-4-15(18)8-13/h2-10,18-19H,1H3
PDB

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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP2D6


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50299645
PNG
(4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol |...)
Show SMILES Cc1cc(ccc1O)-c1csc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C17H14O2S/c1-11-7-12(5-6-16(11)19)14-9-17(20-10-14)13-3-2-4-15(18)8-13/h2-10,18-19H,1H3
PDB
MMDB

Reactome pathway
KEGG

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DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human hepatic CYP2C19


J Med Chem 52: 6724-43 (2009)


Article DOI: 10.1021/jm901195w
BindingDB Entry DOI: 10.7270/Q2CR5TDT
More data for this
Ligand-Target Pair