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1 similar compounds to monomer 50369468

Compile data set for download or QSAR
Wt: 412.4
BDBM50081403

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50081403   
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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50081403
PNG
(CHEMBL3422044)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 699n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...


J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50081403
PNG
(CHEMBL3422044)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 58n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay


J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50081403
PNG
(CHEMBL3422044)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 176n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay


J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair