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BDBM339012 (E)-3-amino-2,2-dimethyl-1-(3-(2-(2,6,6- trimethylcyclohex-1-enyl)vinyl)phenyl)propan-1-one::US10201545, Compound 60

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

InChI Key: InChIKey=RBRQNNZLCPSMMQ-VAWYXSNFSA-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 = 339012   
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))
BDBM339012
PNG
((E)-3-amino-2,2-dimethyl-1-(3-(2-(2,6,6- trimethyl...)
Show SMILES CC1=C(\C=C\c2cccc(c2)C(=O)C(C)(C)CN)C(C)(C)CCC1
Show InChI InChI=1S/C22H31NO/c1-16-8-7-13-21(2,3)19(16)12-11-17-9-6-10-18(14-17)20(24)22(4,5)15-23/h6,9-12,14H,7-8,13,15,23H2,1-5H3/b12-11+
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<5.00E+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