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BDBM338911 (1S,2S)-3-amino-1-(3-((E)-2-(1- hydroxycyclohexyl)vinyl)phenyl)propane-1,2-diol::US10201545, Compound 117

SMILES: NC[C@H](O)[C@@H](O)c1cccc(\C=C\C2(O)CCCCC2)c1

InChI Key: InChIKey=VOKMZZIOFRASRQ-MOVUHUBBSA-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 = 338911   
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))
BDBM338911
PNG
((1S,2S)-3-amino-1-(3-((E)-2-(1- hydroxycyclohexyl)...)
Show SMILES NC[C@H](O)[C@@H](O)c1cccc(\C=C\C2(O)CCCCC2)c1
Show InChI InChI=1S/C17H25NO3/c18-12-15(19)16(20)14-6-4-5-13(11-14)7-10-17(21)8-2-1-3-9-17/h4-7,10-11,15-16,19-21H,1-3,8-9,12,18H2/b10-7+/t15-,16-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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)


BindingDB Entry DOI: 10.7270/Q2JS9SJM
More data for this
Ligand-Target Pair