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BDBM50126970 CHEMBL3629584

SMILES: Nc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F

InChI Key: InChIKey=AALHZGMCQSLBNY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50126970   
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))
BDBM50126970
PNG
(CHEMBL3629584)
Show SMILES Nc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO2S/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(23-14)9-2-1-3-10(20)8-9/h1-8,21H,20H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50126970
PNG
(CHEMBL3629584)
Show SMILES Nc1cccc(c1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Show InChI InChI=1S/C17H11F2NO2S/c18-11-4-5-12(21)16(19)15(11)17(22)14-7-6-13(23-14)9-2-1-3-10(20)8-9/h1-8,21H,20H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair