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BDBM25849 4-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol::CHEMBL204010::hydroxyphenyl substituted thiophene, 21

SMILES: Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1

InChI Key: InChIKey=KZMOBYGIRBRCFV-UHFFFAOYSA-N

Data: 1 KI  2 EC50  1 Other

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 4 hits for monomerid = 25849   
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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM25849
PNG
(4-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,17-18H
PDB
MMDB

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KEGG

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Article
PubMed
4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid plaque in brain homogenates


Bioorg Med Chem Lett 16: 1350-2 (2006)

More data for this
Ligand-Target Pair
Estradiol receptor alpha (ERα)


(Homo sapiens (Human))
BDBM25849
PNG
(4-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,17-18H
PDB

UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
n/an/an/an/a 2.35E+3n/an/an/an/a



Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL


Assay Description
Agonist activity at estrogen receptor alpha (unknown origin) expressed in human HepG2 cells coexpressing estrogen response element after 24 hrs by lu...


J Med Chem 56: 3346-66 (2013)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM25849
PNG
(4-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,17-18H
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.54E+3n/an/an/an/a



Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL


Assay Description
Agonist activity at estrogen receptor beta (unknown origin) expressed in human HepG2 cells coexpressing estrogen response element after 24 hrs by luc...


J Med Chem 56: 3346-66 (2013)

More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1)


(Homo sapiens (Human))
BDBM25849
PNG
(4-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol | CHEMB...)
Show SMILES Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,17-18H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/an/an/an/a7.037



Saarland University



Assay Description
Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantific...


J Med Chem 51: 6725-39 (2008)

More data for this
Ligand-Target Pair