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BDBM50357463 CHEMBL1917897

SMILES: Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1

InChI Key: InChIKey=RBRJVQYANZHRMU-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 = 50357463   
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))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50357463
PNG
(CHEMBL1917897)
Show SMILES Oc1ccc(cc1C(F)(F)F)-c1ccc2c(O)cccc2c1
Show InChI InChI=1S/C17H11F3O2/c18-17(19,20)14-9-11(5-7-16(14)22)10-4-6-13-12(8-10)2-1-3-15(13)21/h1-9,21-22H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 611n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis


J Med Chem 54: 7547-57 (2011)


Article DOI: 10.1021/jm2008453
BindingDB Entry DOI: 10.7270/Q2M045V0
More data for this
Ligand-Target Pair