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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Retinoid isomerohydrolase' AND taxid = 9913   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323437
PNG
(3-(3-(Cyclohexylmethoxy)Phenyl)Propan-1-Amine | US...)
Show SMILES NCCCc1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H25NO/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15/h4,8,10,12,15H,1-3,5-7,9,11,13,17H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323438
PNG
(3-(3-(2-Propylpentyloxy)Phenyl)Propan-1-Amine | US...)
Show SMILES CCCC(CCC)COc1cccc(CCCN)c1
Show InChI InChI=1S/C17H29NO/c1-3-7-16(8-4-2)14-19-17-11-5-9-15(13-17)10-6-12-18/h5,9,11,13,16H,3-4,6-8,10,12,14,18H2,1-2H3
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323450
PNG
((S)-3-Amino-1-(3-(Cyclohexylmethoxy)Phenyl)Propan-...)
Show SMILES NCC[C@H](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/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323419
PNG
((R)-3-Amino-1-(3-(Cyclohexylmethoxy)Phenyl)Propan-...)
Show SMILES NCC[C@@H](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/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323439
PNG
(3-(3-(2-Ethylbutoxy)Phenyl)Propan-I-Amine | US1018...)
Show SMILES CCC(CC)COc1cccc(CCCN)c1
Show InChI InChI=1S/C15H25NO/c1-3-13(4-2)12-17-15-9-5-7-14(11-15)8-6-10-16/h5,7,9,11,13H,3-4,6,8,10,12,16H2,1-2H3
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
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
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323440
PNG
(3-Amino-1-(3-(Cyclohexylmethoxy)Phenyl)Propan-1-On...)
Show SMILES NCCC(=O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H23NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,17H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323441
PNG
(1-Amino-3-(3-(Cyclohexylmethoxy)Phenyl)Propan-2-Ol...)
Show SMILES NCC(O)Cc1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H25NO2/c17-11-15(18)9-14-7-4-8-16(10-14)19-12-13-5-2-1-3-6-13/h4,7-8,10,13,15,18H,1-3,5-6,9,11-12,17H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323442
PNG
(2-(3-(Cyclohexylmethoxy)Phenoxy)Ethanamine | US101...)
Show SMILES NCCOc1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C15H23NO2/c16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323444
PNG
(2-(3-(Cycloheptylmethoxy)Phenoxy)Ethanamine | US10...)
Show SMILES NCCOc1cccc(OCC2CCCCCC2)c1
Show InChI InChI=1S/C16H25NO2/c17-10-11-18-15-8-5-9-16(12-15)19-13-14-6-3-1-2-4-7-14/h5,8-9,12,14H,1-4,6-7,10-11,13,17H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323445
PNG
(1-((3-(3-Aminopropyl)Phenoxy)Methyl)Cyclohexanol |...)
Show SMILES NCCCc1cccc(OCC2(O)CCCCC2)c1
Show InChI InChI=1S/C16H25NO2/c17-11-5-7-14-6-4-8-15(12-14)19-13-16(18)9-2-1-3-10-16/h4,6,8,12,18H,1-3,5,7,9-11,13,17H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323499
PNG
(1-((3-(3-Aminopropyl)Phenoxy)Methyl)Cycloheptanol ...)
Show SMILES NCCCc1cccc(OCC2(O)CCCCCC2)c1
Show InChI InChI=1S/C17H27NO2/c18-12-6-8-15-7-5-9-16(13-15)20-14-17(19)10-3-1-2-4-11-17/h5,7,9,13,19H,1-4,6,8,10-12,14,18H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323446
PNG
(1-((3-(3-Amino-1-Hydroxypropyl)Phenoxy)Methyl)Cycl...)
Show SMILES NCCC(O)c1cccc(OCC2(O)CCCCC2)c1
Show InChI InChI=1S/C16H25NO3/c17-10-7-15(18)13-5-4-6-14(11-13)20-12-16(19)8-2-1-3-9-16/h4-6,11,15,18-19H,1-3,7-10,12,17H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323416
PNG
(1-((3-(3-Amino-1-Hydroxypropyl)Phenoxy)Methyl)Cycl...)
Show SMILES NCCC(O)c1cccc(OCC2(O)CCCCCC2)c1
Show InChI InChI=1S/C17H27NO3/c18-11-8-16(19)14-6-5-7-15(12-14)21-13-17(20)9-3-1-2-4-10-17/h5-7,12,16,19-20H,1-4,8-11,13,18H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323500
PNG
(3-(3-(Cycloheptylmethoxy)Phenyl)Propan-1-Amine | U...)
Show SMILES NCCCc1cccc(OCC2CCCCCC2)c1
Show InChI InChI=1S/C17H27NO/c18-12-6-10-15-9-5-11-17(13-15)19-14-16-7-3-1-2-4-8-16/h5,9,11,13,16H,1-4,6-8,10,12,14,18H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323417
PNG
(3-Amino-1-(3-(Cycloheptylmethoxy)Phenyl)Propan-1-O...)
Show SMILES NCCC(O)c1cccc(OCC2CCCCCC2)c1
Show InChI InChI=1S/C17H27NO2/c18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-1-2-4-7-14/h5,8-9,12,14,17,19H,1-4,6-7,10-11,13,18H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323447
PNG
(3-Amino-1-(3-(Cycloheptylmethoxy)Phenyl)Propan-1-O...)
Show SMILES NCCC(=O)c1cccc(OCC2CCCCCC2)c1
Show InChI InChI=1S/C17H25NO2/c18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-1-2-4-7-14/h5,8-9,12,14H,1-4,6-7,10-11,13,18H2
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323418
PNG
(3-Amino-1-(3-(2-Propylpentyloxy)Phenyl)Propan-1-Ol...)
Show SMILES CCCC(CCC)COc1cccc(c1)C(O)CCN
Show InChI InChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-16-9-5-8-15(12-16)17(19)10-11-18/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13,18H2,1-2H3
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323448
PNG
(4-((3-(3-Amino-1-Hydroxypropyl)Phenoxy)Methyl)Hept...)
Show SMILES CCCC(O)(CCC)COc1cccc(c1)C(O)CCN
Show InChI InChI=1S/C17H29NO3/c1-3-9-17(20,10-4-2)13-21-15-7-5-6-14(12-15)16(19)8-11-18/h5-7,12,16,19-20H,3-4,8-11,13,18H2,1-2H3
PDB

UniProtKB/SwissProt

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
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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323498
PNG
(2-(3-(Benzyloxy)Phenoxy)Ethanamine | US10188615, E...)
Show SMILES NCCOc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C15H17NO2/c16-9-10-17-14-7-4-8-15(11-14)18-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12,16H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323501
PNG
(1-((3-(2-Aminoethoxy)Phenoxy)Methyl)Cycloheptanol ...)
Show SMILES NCCOc1cccc(OCC2(O)CCCCCC2)c1
Show InChI InChI=1S/C16H25NO3/c17-10-11-19-14-6-5-7-15(12-14)20-13-16(18)8-3-1-2-4-9-16/h5-7,12,18H,1-4,8-11,13,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+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)

More data for this
Ligand-Target Pair
Retinoid isomerohydrolase


(Bos taurus (Bovine))
BDBM323586
PNG
(N-(3-(3-(Cyclohexylmethoxy)Phenyl)-3-Hydroxypropyl...)
Show SMILES CC(=O)NCCC(O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C18H27NO3/c1-14(20)19-11-10-18(21)16-8-5-9-17(12-16)22-13-15-6-3-2-4-7-15/h5,8-9,12,15,18,21H,2-4,6-7,10-11,13H2,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+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)

More data for this
Ligand-Target Pair