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BDBM50232147 CHEMBL4062959

SMILES: COc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F

InChI Key: InChIKey=DLLRURWSLAEFFE-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232147   
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


(Homo sapiens (Human))
BDBM50232147
PNG
(CHEMBL4062959)
Show SMILES COc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H11ClF2O3S/c1-24-13-5-2-9(8-10(13)19)14-6-7-15(25-14)18(23)16-11(20)3-4-12(22)17(16)21/h2-8,22H,1H3
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MMDB

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KEGG

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50232147
PNG
(CHEMBL4062959)
Show SMILES COc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C18H11ClF2O3S/c1-24-13-5-2-9(8-10(13)19)14-6-7-15(25-14)18(23)16-11(20)3-4-12(22)17(16)21/h2-8,22H,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method


Eur J Med Chem 127: 944-957 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.004
More data for this
Ligand-Target Pair