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Compile Data Set for Download or QSAR

Found 297 hits from ACUCELA INC.   
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))
BDBM338907
PNG
((E)-1-(3-((1R,2R)-3-amino-1-hydroxy-2- methylpropy...)
Show SMILES C[C@H](CN)[C@@H](O)c1cccc(\C=C\C2(O)CCCCC2)c1
Show InChI InChI=1S/C18H27NO2/c1-14(13-19)17(20)16-7-5-6-15(12-16)8-11-18(21)9-3-2-4-10-18/h5-8,11-12,14,17,20-21H,2-4,9-10,13,19H2,1H3/b11-8+/t14-,17-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338906
PNG
((E)-1-(3-(3-amino-1-hydroxypropyl)styryl)cyclohexa...)
Show SMILES NCCC(O)c1cccc(\C=C\C2(O)CCCCC2)c1
Show InChI InChI=1S/C17H25NO2/c18-12-8-16(19)15-6-4-5-14(13-15)7-11-17(20)9-2-1-3-10-17/h4-7,11,13,16,19-20H,1-3,8-10,12,18H2/b11-7+
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338908
PNG
((E)-4-(3-(3-amino-1-hydroxypropyl)styryl)heptan-4-...)
Show SMILES CCCC(O)(CCC)\C=C\c1cccc(c1)C(O)CCN
Show InChI InChI=1S/C18H29NO2/c1-3-10-18(21,11-4-2)12-8-15-6-5-7-16(14-15)17(20)9-13-19/h5-8,12,14,17,20-21H,3-4,9-11,13,19H2,1-2H3/b12-8+
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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
Retinoid isomerohydrolase


(Homo sapiens (Human))
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 55n/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


(Homo sapiens (Human))
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 55n/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


(Homo sapiens (Human))
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 55n/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


(Homo sapiens (Human))
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 55n/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


(Homo sapiens (Human))
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 55n/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


(Homo sapiens (Human))
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 55n/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


(Homo sapiens (Human))
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 55n/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


(Homo sapiens (Human))
BDBM323449
PNG
(2-(3-(2-Propylpentyloxy)Phenoxy)Ethanamine | US101...)
Show SMILES CCCC(CCC)COc1cccc(OCCN)c1
Show InChI InChI=1S/C16H27NO2/c1-3-6-14(7-4-2)13-19-16-9-5-8-15(12-16)18-11-10-17/h5,8-9,12,14H,3-4,6-7,10-11,13,17H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
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 55n/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


(Homo sapiens (Human))
BDBM323451
PNG
(3-((3-(3-Aminopropyl)Phenoxy)Methyl)Pentan-3-Ol | ...)
Show SMILES CCC(O)(CC)COc1cccc(CCCN)c1
Show InChI InChI=1S/C15H25NO2/c1-3-15(17,4-2)12-18-14-9-5-7-13(11-14)8-6-10-16/h5,7,9,11,17H,3-4,6,8,10,12,16H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323452
PNG
(2-(3-(2-Ethylbutoxy)Phenoxy)Ethanamine | US1018861...)
Show SMILES CCC(CC)COc1cccc(OCCN)c1
Show InChI InChI=1S/C14H23NO2/c1-3-12(4-2)11-17-14-7-5-6-13(10-14)16-9-8-15/h5-7,10,12H,3-4,8-9,11,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323453
PNG
(3-Amino-1-(3-(Benzyloxy)Phenyl)Propan-1-Ol | US101...)
Show SMILES NCCC(O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C16H19NO2/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h1-8,11,16,18H,9-10,12,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323454
PNG
(2-(3-(Isopentyloxy)Phenoxy)Ethanamine | US10188615...)
Show SMILES CC(C)CCOc1cccc(OCCN)c1
Show InChI InChI=1S/C13H21NO2/c1-11(2)6-8-15-12-4-3-5-13(10-12)16-9-7-14/h3-5,10-11H,6-9,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323455
PNG
(2-(3-Phenethoxyphenoxy)Ethanamine | US10188615, Ex...)
Show SMILES NCCOc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C16H19NO2/c17-10-12-19-16-8-4-7-15(13-16)18-11-9-14-5-2-1-3-6-14/h1-8,13H,9-12,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323456
PNG
((1R,2R)-2-(Aminomethyl)-1-(3-(Cyclohexylmethoxy)Ph...)
Show SMILES CC[C@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C18H29NO2/c1-2-15(12-19)18(20)16-9-6-10-17(11-16)21-13-14-7-4-3-5-8-14/h6,9-11,14-15,18,20H,2-5,7-8,12-13,19H2,1H3/t15-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323457
PNG
(3-Amino-1-(3-Phenethoxyphenyl)Propan-1-Ol | US1018...)
Show SMILES NCCC(O)c1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C17H21NO2/c18-11-9-17(19)15-7-4-8-16(13-15)20-12-10-14-5-2-1-3-6-14/h1-8,13,17,19H,9-12,18H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323458
PNG
((S)-1-Amino-3-(3-(2-Ethylbutoxy)Phenyl)Propan-2-Ol...)
Show SMILES CCC(CC)COc1cccc(C[C@H](O)CN)c1
Show InChI InChI=1S/C15H25NO2/c1-3-12(4-2)11-18-15-7-5-6-13(9-15)8-14(17)10-16/h5-7,9,12,14,17H,3-4,8,10-11,16H2,1-2H3/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323459
PNG
((S)-1-Amino-3-(3-(2-Propylpentyloxy)Phenyl)Propan-...)
Show SMILES CCCC(CCC)COc1cccc(C[C@H](O)CN)c1
Show InChI InChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-17-9-5-8-15(11-17)10-16(19)12-18/h5,8-9,11,14,16,19H,3-4,6-7,10,12-13,18H2,1-2H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323460
PNG
((R)-1-Amino-3-(3-(2-Propylpentyloxy)Phenyl)Propan-...)
Show SMILES CCCC(CCC)COc1cccc(C[C@@H](O)CN)c1
Show InChI InChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-17-9-5-8-15(11-17)10-16(19)12-18/h5,8-9,11,14,16,19H,3-4,6-7,10,12-13,18H2,1-2H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323461
PNG
((R)-1-Amino-3-(3-(2-Ethylbutoxy)Phenyl)Propan-2-Ol...)
Show SMILES CCC(CC)COc1cccc(C[C@@H](O)CN)c1
Show InChI InChI=1S/C15H25NO2/c1-3-12(4-2)11-18-15-7-5-6-13(9-15)8-14(17)10-16/h5-7,9,12,14,17H,3-4,8,10-11,16H2,1-2H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323462
PNG
(3-Amino-1-(3-(Cyclopropylmethoxy)Phenyl)Propan-1-O...)
Show SMILES NCCC(O)c1cccc(OCC2CC2)c1
Show InChI InChI=1S/C13H19NO2/c14-7-6-13(15)11-2-1-3-12(8-11)16-9-10-4-5-10/h1-3,8,10,13,15H,4-7,9,14H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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


(Homo sapiens (Human))
BDBM323463
PNG
((1S,2S)-3-Amino-1-(3-(Cyclohexylmethoxy)Phenyl)-2-...)
Show SMILES C[C@@H](CN)[C@H](O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C17H27NO2/c1-13(11-18)17(19)15-8-5-9-16(10-15)20-12-14-6-3-2-4-7-14/h5,8-10,13-14,17,19H,2-4,6-7,11-12,18H2,1H3/t13-,17-/m0/s1
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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


(Homo sapiens (Human))
BDBM323464
PNG
((1R,2S)-3-Amino-1-(3-(Cyclohexylmethoxy)Phenyl)-2-...)
Show SMILES C[C@@H](CN)[C@@H](O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C17H27NO2/c1-13(11-18)17(19)15-8-5-9-16(10-15)20-12-14-6-3-2-4-7-14/h5,8-10,13-14,17,19H,2-4,6-7,11-12,18H2,1H3/t13-,17+/m0/s1
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323465
PNG
(3-(3-(Cyclohexylmethoxy)Phenyl)Butan-1-Amine | US1...)
Show SMILES CC(CCN)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C17H27NO/c1-14(10-11-18)16-8-5-9-17(12-16)19-13-15-6-3-2-4-7-15/h5,8-9,12,14-15H,2-4,6-7,10-11,13,18H2,1H3
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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


(Homo sapiens (Human))
BDBM323466
PNG
(3-Amino-1-(3-((Tetrahydro-2H-Pyran-2-Yl)Methoxy)Ph...)
Show SMILES NCCC(O)c1cccc(OCC2CCCCO2)c1
Show InChI InChI=1S/C15H23NO3/c16-8-7-15(17)12-4-3-6-13(10-12)19-11-14-5-1-2-9-18-14/h3-4,6,10,14-15,17H,1-2,5,7-9,11,16H2
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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


(Homo sapiens (Human))
BDBM323467
PNG
(2-(3-(Pentyloxy)Phenoxy)Ethanamine | US10188615, E...)
Show SMILES CCCCCOc1cccc(OCCN)c1
Show InChI InChI=1S/C13H21NO2/c1-2-3-4-9-15-12-6-5-7-13(11-12)16-10-8-14/h5-7,11H,2-4,8-10,14H2,1H3
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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


(Homo sapiens (Human))
BDBM323468
PNG
(3-Amino-1-(3-(2-Methoxybenzyloxy)Phenyl)Propan-1-O...)
Show SMILES COc1ccccc1COc1cccc(c1)C(O)CCN
Show InChI InChI=1S/C17H21NO3/c1-20-17-8-3-2-5-14(17)12-21-15-7-4-6-13(11-15)16(19)9-10-18/h2-8,11,16,19H,9-10,12,18H2,1H3
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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


(Homo sapiens (Human))
BDBM323469
PNG
(2-(3-(Cyclooctylmethoxy)Phenoxy)Ethanamine | US101...)
Show SMILES NCCOc1cccc(OCC2CCCCCCC2)c1
Show InChI InChI=1S/C17H27NO2/c18-11-12-19-16-9-6-10-17(13-16)20-14-15-7-4-2-1-3-5-8-15/h6,9-10,13,15H,1-5,7-8,11-12,14,18H2
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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


(Homo sapiens (Human))
BDBM323470
PNG
(3-(3-(Cyclopentylmethoxy)Phenyl)Propan-1-Amine | U...)
Show SMILES NCCCc1cccc(OCC2CCCC2)c1
Show InChI InChI=1S/C15H23NO/c16-10-4-8-13-7-3-9-15(11-13)17-12-14-5-1-2-6-14/h3,7,9,11,14H,1-2,4-6,8,10,12,16H2
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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


(Homo sapiens (Human))
BDBM323471
PNG
(2-(3-(Cyclopentylmethoxy)Phenoxy)Ethanamine | US10...)
Show SMILES NCCOc1cccc(OCC2CCCC2)c1
Show InChI InChI=1S/C14H21NO2/c15-8-9-16-13-6-3-7-14(10-13)17-11-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11,15H2
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323472
PNG
(3-Amino-1-(3-(2,6-Dichlorobenzyloxy)Phenyl)Propan-...)
Show SMILES NCCC(O)c1cccc(OCc2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C16H17Cl2NO2/c17-14-5-2-6-15(18)13(14)10-21-12-4-1-3-11(9-12)16(20)7-8-19/h1-6,9,16,20H,7-8,10,19H2
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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


(Homo sapiens (Human))
BDBM323474
PNG
(3-Amino-1-(3-(Cyclooctylmethoxy)Phenyl)Propan-1-Ol...)
Show SMILES NCCC(O)c1cccc(OCC2CCCCCCC2)c1
Show InChI InChI=1S/C18H29NO2/c19-12-11-18(20)16-9-6-10-17(13-16)21-14-15-7-4-2-1-3-5-8-15/h6,9-10,13,15,18,20H,1-5,7-8,11-12,14,19H2
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323475
PNG
(3-Amino-1-(3-(Isopentyloxy)Phenyl)Propan-1-Ol | US...)
Show SMILES CC(C)CCOc1cccc(c1)C(O)CCN
Show InChI InChI=1S/C14H23NO2/c1-11(2)7-9-17-13-5-3-4-12(10-13)14(16)6-8-15/h3-5,10-11,14,16H,6-9,15H2,1-2H3
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323476
PNG
(3-Amino-1-(3-(3-Methoxypropoxy)Phenyl)Propan-1-Ol ...)
Show SMILES COCCCOc1cccc(c1)C(O)CCN
Show InChI InChI=1S/C13H21NO3/c1-16-8-3-9-17-12-5-2-4-11(10-12)13(15)6-7-14/h2,4-5,10,13,15H,3,6-9,14H2,1H3
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323477
PNG
(3-Amino-1-(3-(4-(Benzyloxy)Butoxy)Phenyl)Propan-1-...)
Show SMILES NCCC(O)c1cccc(OCCCCOCc2ccccc2)c1
Show InChI InChI=1S/C20H27NO3/c21-12-11-20(22)18-9-6-10-19(15-18)24-14-5-4-13-23-16-17-7-2-1-3-8-17/h1-3,6-10,15,20,22H,4-5,11-14,16,21H2
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323478
PNG
(3-Amino-1-(3-(5-(Benzyloxy)Pentyloxy)Phenyl)Propan...)
Show SMILES NCCC(O)c1cccc(OCCCCCOCc2ccccc2)c1
Show InChI InChI=1S/C21H29NO3/c22-13-12-21(23)19-10-7-11-20(16-19)25-15-6-2-5-14-24-17-18-8-3-1-4-9-18/h1,3-4,7-11,16,21,23H,2,5-6,12-15,17,22H2
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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


(Homo sapiens (Human))
BDBM323479
PNG
(2-(3-(Cyclohexylmethoxy)Phenylthio)Ethanamine | US...)
Show SMILES NCCSc1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C15H23NOS/c16-9-10-18-15-8-4-7-14(11-15)17-12-13-5-2-1-3-6-13/h4,7-8,11,13H,1-3,5-6,9-10,12,16H2
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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


(Homo sapiens (Human))
BDBM323480
PNG
(3-(3-(Cyclohexylmethoxy)Phenyl)-3-Hydroxypropanimi...)
Show SMILES NC(=N)CC(O)c1cccc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H24N2O2/c17-16(18)10-15(19)13-7-4-8-14(9-13)20-11-12-5-2-1-3-6-12/h4,7-9,12,15,19H,1-3,5-6,10-11H2,(H3,17,18)
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323481
PNG
(3-Amino-1-(3-(3-(Benzyloxy)Propoxy)Phenyl)Propan-1...)
Show SMILES NCCC(O)c1cccc(OCCCOCc2ccccc2)c1
Show InChI InChI=1S/C19H25NO3/c20-11-10-19(21)17-8-4-9-18(14-17)23-13-5-12-22-15-16-6-2-1-3-7-16/h1-4,6-9,14,19,21H,5,10-13,15,20H2
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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


(Homo sapiens (Human))
BDBM323482
PNG
((1,2-Cis)-2-((3-(3-Aminopropyl)Phenoxy)Methyl)Cycl...)
Show SMILES NCCCc1cccc(OC[C@H]2CCCC[C@H]2O)c1
Show InChI InChI=1S/C16H25NO2/c17-10-4-6-13-5-3-8-15(11-13)19-12-14-7-1-2-9-16(14)18/h3,5,8,11,14,16,18H,1-2,4,6-7,9-10,12,17H2/t14-,16-/m1/s1
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323483
PNG
((1,2-Trans)-2-((3-(3-Aminopropyl)Phenoxy)Methyl)Cy...)
Show SMILES NCCCc1cccc(OC[C@@H]2CCCC[C@H]2O)c1
Show InChI InChI=1S/C16H25NO2/c17-10-4-6-13-5-3-8-15(11-13)19-12-14-7-1-2-9-16(14)18/h3,5,8,11,14,16,18H,1-2,4,6-7,9-10,12,17H2/t14-,16+/m0/s1
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323484
PNG
(2-(3-(Cyclohexylmethoxy)-5-Methylphenoxy)Ethanamin...)
Show SMILES Cc1cc(OCCN)cc(OCC2CCCCC2)c1
Show InChI InChI=1S/C16H25NO2/c1-13-9-15(18-8-7-17)11-16(10-13)19-12-14-5-3-2-4-6-14/h9-11,14H,2-8,12,17H2,1H3
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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


(Homo sapiens (Human))
BDBM323485
PNG
(1-(3-(3-Amino-1-Hydroxypropyl)Phenoxy)-3-Methylbut...)
Show SMILES CC(C)C(O)COc1cccc(c1)C(O)CCN
Show InChI InChI=1S/C14H23NO3/c1-10(2)14(17)9-18-12-5-3-4-11(8-12)13(16)6-7-15/h3-5,8,10,13-14,16-17H,6-7,9,15H2,1-2H3
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323486
PNG
(3-Amino-1-(3-(2-Hydroxy-2-Phenylethoxy)Phenyl)Prop...)
Show SMILES NCCC(O)c1cccc(OCC(O)c2ccccc2)c1
Show InChI InChI=1S/C17H21NO3/c18-10-9-16(19)14-7-4-8-15(11-14)21-12-17(20)13-5-2-1-3-6-13/h1-8,11,16-17,19-20H,9-10,12,18H2
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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


(Homo sapiens (Human))
BDBM323487
PNG
(1-(3-(3-Amino-1-Hydroxypropyl)Phenoxy)Pentan-2-Ol ...)
Show SMILES CCCC(O)COc1cccc(c1)C(O)CCN
Show InChI InChI=1S/C14H23NO3/c1-2-4-12(16)10-18-13-6-3-5-11(9-13)14(17)7-8-15/h3,5-6,9,12,14,16-17H,2,4,7-8,10,15H2,1H3
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323488
PNG
(5-(3-(3-Amino-1-Hydroxypropyl)Phenoxy)Pentan-1-Ol ...)
Show SMILES NCCC(O)c1cccc(OCCCCCO)c1
Show InChI InChI=1S/C14H23NO3/c15-8-7-14(17)12-5-4-6-13(11-12)18-10-3-1-2-9-16/h4-6,11,14,16-17H,1-3,7-10,15H2
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ACUCELA INC.

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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


(Homo sapiens (Human))
BDBM323490
PNG
((1,2-Trans)-2-((3-((R)-3-Amino-1-Hydroxypropyl)Phe...)
Show SMILES CC(=O)O[C@@H]1CCCC[C@H]1COc1cccc(c1)[C@H](O)CCN
Show InChI InChI=1S/C18H27NO4/c1-13(20)23-18-8-3-2-5-15(18)12-22-16-7-4-6-14(11-16)17(21)9-10-19/h4,6-7,11,15,17-18,21H,2-3,5,8-10,12,19H2,1H3/t15-,17+,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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
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