Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50084986' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084986
(CHEMBL3427405)Show SMILES Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2c(F)cc(O)cc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.86,-2.98,;.87,-4.17,;1.4,-5.61,;.41,-6.79,;-1.1,-6.53,;-2.1,-7.71,;-3.61,-7.44,;-4.61,-8.62,;-4.19,-9.78,;-5.82,-8.4,;-1.63,-5.08,;-.64,-3.9,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)| Show InChI InChI=1S/C26H18F2O5/c1-14-10-17(27)7-8-19(14)24-20(11-16-4-2-15(3-5-16)6-9-23(30)31)25-21(28)12-18(29)13-22(25)33-26(24)32/h2-10,12-13,29H,11H2,1H3,(H,30,31)/b9-6+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066 BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084986
(CHEMBL3427405)Show SMILES Cc1cc(F)ccc1-c1c(Cc2ccc(\C=C\C(O)=O)cc2)c2c(F)cc(O)cc2oc1=O |(5.33,.46,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;7.73,-3.7,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.86,-2.98,;.87,-4.17,;1.4,-5.61,;.41,-6.79,;-1.1,-6.53,;-2.1,-7.71,;-3.61,-7.44,;-4.61,-8.62,;-4.19,-9.78,;-5.82,-8.4,;-1.63,-5.08,;-.64,-3.9,;,-.77,;-1.33,-1.54,;-1.33,-2.77,;-2.68,-.77,;-2.68,.77,;-3.75,1.39,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,)| Show InChI InChI=1S/C26H18F2O5/c1-14-10-17(27)7-8-19(14)24-20(11-16-4-2-15(3-5-16)6-9-23(30)31)25-21(28)12-18(29)13-22(25)33-26(24)32/h2-10,12-13,29H,11H2,1H3,(H,30,31)/b9-6+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Suppression of ER alpha in human MCF7 cells after 24 hrs by immunostaining analysis |
J Med Chem 58: 3522-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00066 BindingDB Entry DOI: 10.7270/Q2M32XGF |
More data for this Ligand-Target Pair | |