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BDBM50331002 CHEMBL1277801::[5-(3-Chloro-4-hydroxyphenyl)-2-thienyl](3-hydroxyphenyl)-methanone

SMILES: Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(Cl)c1

InChI Key: InChIKey=GDAIBYWANOLHNN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50331002   
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))
BDBM50331002
PNG
(CHEMBL1277801 | [5-(3-Chloro-4-hydroxyphenyl)-2-th...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C17H11ClO3S/c18-13-9-10(4-5-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-9,19-20H
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/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 2


(Homo sapiens (human))
BDBM50331002
PNG
(CHEMBL1277801 | [5-(3-Chloro-4-hydroxyphenyl)-2-th...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C17H11ClO3S/c18-13-9-10(4-5-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-9,19-20H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 246n/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))
BDBM50331002
PNG
(CHEMBL1277801 | [5-(3-Chloro-4-hydroxyphenyl)-2-th...)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C17H11ClO3S/c18-13-9-10(4-5-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/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 5n/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