BindingDB logo
myBDB logout

BDBM323415 3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol::US10188615, Example 4::US10639286, Example 4

SMILES: NCCC(O)c1cccc(OCC2CCCCC2)c1

InChI Key: InChIKey=WJIGGYYSZBWCGC-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 323415   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid isomerohydrolase


(Homo sapiens (Human))
BDBM323415
PNG
(3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...)
Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

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



ACUCELA INC.

US Patent


Assay Description
Isomerase inhibition reactions were performed essentially as described (Stecher et al., J. Biol. Chem. 274:8577-85 (1999); see also Golczak et al., P...


US Patent US10188615 (2019)


BindingDB Entry DOI: 10.7270/Q2NP26HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323415
PNG
(3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...)
Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

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



ACUCELA INC.

US Patent


Assay Description
Isomerase inhibition reactions were performed essentially as described (Stecher et al., J. Biol. Chem. 274:8577-85 (1999); see also Golczak et al., P...


US Patent US10188615 (2019)


BindingDB Entry DOI: 10.7270/Q2NP26HC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323415
PNG
(3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...)
Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/an/an/a 172n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Inhibition of RPE65 in bovine RPE microsomes assessed as reduction in 11-cis-retinol production using all-trans-retinol as substrate pre-incubated wi...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM323415
PNG
(3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...)
Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

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



ACUCELA INC.

US Patent


Assay Description
Isomerase inhibition reactions were performed essentially as described (Stecher et al., J Biol. Chem. 274:8577-85 (1999).


US Patent US10639286 (2020)

More data for this
Ligand-Target Pair
Retinaldehyde-binding protein 1


(Bovine)
BDBM323415
PNG
(3-Amino-1-(3-(cyclohexylmethoxy)Phenyl)Propan-1-Ol...)
Show SMILES NCCC(O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H25NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2
UniProtKB/SwissProt

GoogleScholar
Purchase

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



ACUCELA INC.

US Patent


Assay Description
Isomerase inhibition reactions were performed essentially as described (Stecher et al., J Biol. Chem. 274:8577-85 (1999).


US Patent US10639286 (2020)

More data for this
Ligand-Target Pair