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BDBM338932 (E)-3-amino-2-methyl-1-(3-(2-(2,6,6-trimethylcyclohex- 1-enyl)vinyl)phenyl)propan-1-ol::US10201545, Compound 59

SMILES: CC(CN)C(O)c1cccc(\C=C\C2=C(C)CCCC2(C)C)c1

InChI Key: InChIKey=FXKCGXJBFRUOSM-ZHACJKMWSA-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 = 338932   
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))
BDBM338932
PNG
((E)-3-amino-2-methyl-1-(3-(2-(2,6,6-trimethylcyclo...)
Show SMILES CC(CN)C(O)c1cccc(\C=C\C2=C(C)CCCC2(C)C)c1
Show InChI InChI=1S/C21H31NO/c1-15-7-6-12-21(3,4)19(15)11-10-17-8-5-9-18(13-17)20(23)16(2)14-22/h5,8-11,13,16,20,23H,6-7,12,14,22H2,1-4H3/b11-10+
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/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