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BDBM50360228 CHEMBL1928181

SMILES: Oc1cc(ccc1F)C(=O)c1ccc(cc1)-c1ccc(O)c(Cl)c1

InChI Key: InChIKey=LBLZWKUHUPPPPI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50360228   
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))
BDBM50360228
PNG
(CHEMBL1928181)
Show SMILES Oc1cc(ccc1F)C(=O)c1ccc(cc1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C19H12ClFO3/c20-15-9-13(6-8-17(15)22)11-1-3-12(4-2-11)19(24)14-5-7-16(21)18(23)10-14/h1-10,22-23H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50360228
PNG
(CHEMBL1928181)
Show SMILES Oc1cc(ccc1F)C(=O)c1ccc(cc1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C19H12ClFO3/c20-15-9-13(6-8-17(15)22)11-1-3-12(4-2-11)19(24)14-5-7-16(21)18(23)10-14/h1-10,22-23H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic 17beta-HSD1 in cell-free system using [2,4,6,7-3H]E1 as substrate after 10 mins by radioflow detector


Eur J Med Chem 47: 1-17 (2012)


Article DOI: 10.1016/j.ejmech.2011.09.004
BindingDB Entry DOI: 10.7270/Q2QV3MZW
More data for this
Ligand-Target Pair