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BDBM50358121 CHEMBL1915961

SMILES: CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(C)c1

InChI Key: InChIKey=ZZOJRUADVAFGBY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50358121   
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 2


(Homo sapiens (Human))
BDBM50358121
PNG
(CHEMBL1915961)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-5-3-7-16(11-14)18-9-10-19(24-18)20(23)21(2)13-15-6-4-8-17(22)12-15/h3-12,22H,13H2,1-2H3
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 164n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by ra...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50358121
PNG
(CHEMBL1915961)
Show SMILES CN(Cc1cccc(O)c1)C(=O)c1ccc(s1)-c1cccc(C)c1
Show InChI InChI=1S/C20H19NO2S/c1-14-5-3-7-16(11-14)18-9-10-19(24-18)20(23)21(2)13-15-6-4-8-17(22)12-15/h3-12,22H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins by radio flow detector-based HPLC analysis in presenc...


Eur J Med Chem 46: 5978-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.10.010
BindingDB Entry DOI: 10.7270/Q2PN9625
More data for this
Ligand-Target Pair