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SMILES: CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(C=C2SC(O)=NC2=O)ccc1OC(F)(F)F

InChI Key: InChIKey=HWJYWTWTNWGEPW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50212274   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212274
PNG
(5-((3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetra...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(C=C2SC(O)=NC2=O)ccc1OC(F)(F)F |w:19.20,c:25|
Show InChI InChI=1S/C25H23F3N2O4S/c1-5-30-18-11-15(13(2)8-17(18)24(3,4)12-21(30)31)16-9-14(6-7-19(16)34-25(26,27)28)10-20-22(32)29-23(33)35-20/h6-11H,5,12H2,1-4H3,(H,29,32,33)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3491-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.049
BindingDB Entry DOI: 10.7270/Q2T153B1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50212274
PNG
(5-((3-(1-ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetra...)
Show SMILES CCN1C(=O)CC(C)(C)c2cc(C)c(cc12)-c1cc(C=C2SC(O)=NC2=O)ccc1OC(F)(F)F |w:19.20,c:25|
Show InChI InChI=1S/C25H23F3N2O4S/c1-5-30-18-11-15(13(2)8-17(18)24(3,4)12-21(30)31)16-9-14(6-7-19(16)34-25(26,27)28)10-20-22(32)29-23(33)35-20/h6-11H,5,12H2,1-4H3,(H,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3497-503 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.047
BindingDB Entry DOI: 10.7270/Q2FQ9W93
More data for this
Ligand-Target Pair