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SMILES: CN(CCCc1ccc(cc1)C(F)(F)F)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1

InChI Key: InChIKey=FFBYCHATVNLHSI-UHFFFAOYSA-N

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 = 50121594   
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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50121594
PNG
(4-[2-(4-{Methyl-[3-(4-trifluoromethyl-phenyl)-prop...)
Show SMILES CN(CCCc1ccc(cc1)C(F)(F)F)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C26H32F3N7O/c1-35(16-2-3-19-4-8-21(9-5-19)26(27,28)29)24-32-23(31-13-12-20-6-10-22(37)11-7-20)33-25(34-24)36-17-14-30-15-18-36/h4-11,30,37H,2-3,12-18H2,1H3,(H,31,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
75n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121594
PNG
(4-[2-(4-{Methyl-[3-(4-trifluoromethyl-phenyl)-prop...)
Show SMILES CN(CCCc1ccc(cc1)C(F)(F)F)c1nc(NCCc2ccc(O)cc2)nc(n1)N1CCNCC1
Show InChI InChI=1S/C26H32F3N7O/c1-35(16-2-3-19-4-8-21(9-5-19)26(27,28)29)24-32-23(31-13-12-20-6-10-22(37)11-7-20)33-25(34-24)36-17-14-30-15-18-36/h4-11,30,37H,2-3,12-18H2,1H3,(H,31,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
480n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair