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BDBM338983 (E)-2-fluoro-3-(3-((E)-2-(2,6,6-trimethylcyclohex-1- enyl)vinyl)phenyl)prop-2-en-1-amine::US10201545, Compound 67

SMILES: CC1=C(\C=C\c2cccc(\C=C(\F)CN)c2)C(C)(C)CCC1

InChI Key: InChIKey=JMZLSKWRWCNXSD-BXCLKCLZSA-N

Data: 1 IC50

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 1 hit for monomerid = 338983   
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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338983
PNG
((E)-2-fluoro-3-(3-((E)-2-(2,6,6-trimethylcyclohex-...)
Show SMILES CC1=C(\C=C\c2cccc(\C=C(\F)CN)c2)C(C)(C)CCC1
Show InChI InChI=1S/C20H26FN/c1-15-6-5-11-20(2,3)19(15)10-9-16-7-4-8-17(12-16)13-18(21)14-22/h4,7-10,12-13H,5-6,11,14,22H2,1-3H3/b10-9+,18-13+
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



ACUCELA INC.

US Patent


Assay Description
The isomerase assay was performed in 10 mM bis-tris-propane (BTP) buffer, pH 7.5, 0.5% BSA (diluted in BTP buffer), 1 mM sodium pyrophosphate, 20 ...


US Patent US10201545 (2019)

More data for this
Ligand-Target Pair