Found 5 hits for monomerid = 50084974 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084974
(CHEMBL3427402)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-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/C26H17F3O7/c1-14-12-18(36-26(27,28)29)8-10-19(14)23-24(20-9-5-16(30)13-21(20)35-25(23)33)34-17-6-2-15(3-7-17)4-11-22(31)32/h2-13,30H,1H3,(H,31,32)/b11-4+ | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50084974
(CHEMBL3427402)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-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/C26H17F3O7/c1-14-12-18(36-26(27,28)29)8-10-19(14)23-24(20-9-5-16(30)13-21(20)35-25(23)33)34-17-6-2-15(3-7-17)4-11-22(31)32/h2-13,30H,1H3,(H,31,32)/b11-4+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of hERG channel by electrophysiology |
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)) | BDBM50084974
(CHEMBL3427402)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-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/C26H17F3O7/c1-14-12-18(36-26(27,28)29)8-10-19(14)23-24(20-9-5-16(30)13-21(20)35-25(23)33)34-17-6-2-15(3-7-17)4-11-22(31)32/h2-13,30H,1H3,(H,31,32)/b11-4+ | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at ER alpha in human MCF7 cells assessed as PR gene expression after 24 hrs by laser scanning imaging cytometer 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 | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50084974
(CHEMBL3427402)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-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/C26H17F3O7/c1-14-12-18(36-26(27,28)29)8-10-19(14)23-24(20-9-5-16(30)13-21(20)35-25(23)33)34-17-6-2-15(3-7-17)4-11-22(31)32/h2-13,30H,1H3,(H,31,32)/b11-4+ | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at ER alpha in human MCF7 cells assessed as inhibition of estradiol-induced PR expression treated for 24 hrs after incubation wit... |
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)) | BDBM50084974
(CHEMBL3427402)Show SMILES Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(O)cc2oc1=O |(5.33,.26,;5.33,-.77,;6.66,-1.54,;6.66,-3.08,;8,-3.85,;9.33,-3.08,;9.33,-2.06,;10.4,-2.47,;10.22,-3.6,;5.33,-3.85,;3.99,-3.08,;4,-1.54,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;0,-3.85,;0,-5.39,;-1.33,-6.16,;-2.66,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.39,;-7.74,-5.54,;-2.67,-3.85,;-1.33,-3.08,;,-.77,;-1.33,-1.54,;-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/C26H17F3O7/c1-14-12-18(36-26(27,28)29)8-10-19(14)23-24(20-9-5-16(30)13-21(20)35-25(23)33)34-17-6-2-15(3-7-17)4-11-22(31)32/h2-13,30H,1H3,(H,31,32)/b11-4+ | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | 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 | |
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