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Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1759   
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
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

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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))
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

UniProtKB/SwissProt

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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

UniProtKB/SwissProt

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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))
BDBM338912
PNG
((E)-1-(5-(3-amino-1-hydroxypropyl)-2- methoxystyry...)
Show SMILES COc1ccc(cc1\C=C\C1(O)CCCCC1)C(O)CCN
Show InChI InChI=1S/C18H27NO3/c1-22-17-6-5-14(16(20)8-12-19)13-15(17)7-11-18(21)9-3-2-4-10-18/h5-7,11,13,16,20-21H,2-4,8-10,12,19H2,1H3/b11-7+
PDB

UniProtKB/SwissProt

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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)

More data for this
Ligand-Target Pair
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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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)

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


(Homo sapiens (Human))
BDBM338910
PNG
((E)-1-(3-(3-amino-1-hydroxypropyl)-2- fluorostyryl...)
Show SMILES NCCC(O)c1cccc(\C=C\C2(O)CCCCC2)c1F
Show InChI InChI=1S/C17H24FNO2/c18-16-13(5-4-6-14(16)15(20)8-12-19)7-11-17(21)9-2-1-3-10-17/h4-7,11,15,20-21H,1-3,8-10,12,19H2/b11-7+
PDB

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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)

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


(Homo sapiens (Human))
BDBM338909
PNG
((E)-1-(3-(3-amino-1-hydroxypropyl)-5- fluorostyryl...)
Show SMILES NCCC(O)c1cc(F)cc(\C=C\C2(O)CCCCC2)c1
Show InChI InChI=1S/C17H24FNO2/c18-15-11-13(10-14(12-15)16(20)5-9-19)4-8-17(21)6-2-1-3-7-17/h4,8,10-12,16,20-21H,1-3,5-7,9,19H2/b8-4+
PDB

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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)

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


(Homo sapiens (Human))
BDBM338920
PNG
((E)-3-(3-(2-(2,6,6-trimethylcyclohex-1- enyl)vinyl...)
Show SMILES CC(CCN)c1cccc(\C=C\C2=C(C)CCCC2(C)C)c1
Show InChI InChI=1S/C21H31N/c1-16(12-14-22)19-9-5-8-18(15-19)10-11-20-17(2)7-6-13-21(20,3)4/h5,8-11,15-16H,6-7,12-14,22H2,1-4H3/b11-10+
PDB

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338921
PNG
((E)-2-(3-(2-(2,6,6-trimethylcyclohex-1- enyl)vinyl...)
Show SMILES CC1=C(\C=C\c2cccc(OCCN)c2)C(C)(C)CCC1
Show InChI InChI=1S/C19H27NO/c1-15-6-5-11-19(2,3)18(15)10-9-16-7-4-8-17(14-16)21-13-12-20/h4,7-10,14H,5-6,11-13,20H2,1-3H3/b10-9+
PDB

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PC sid
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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338922
PNG
((E/Z)-3-(3-(2-ethyl-6-methylstyryl)phenyl)propan-1...)
Show SMILES CCc1cccc(C)c1C=Cc1cccc(CCCN)c1
Show InChI InChI=1S/C20H25N/c1-3-19-11-4-7-16(2)20(19)13-12-18-9-5-8-17(15-18)10-6-14-21/h4-5,7-9,11-13,15H,3,6,10,14,21H2,1-2H3
PDB

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338923
PNG
((E/Z)-4-(3-(2-methoxystyryl)phenyl)propan-1-amine ...)
Show SMILES COc1ccccc1C=Cc1cccc(CCCN)c1
Show InChI InChI=1S/C18H21NO/c1-20-18-10-3-2-9-17(18)12-11-16-7-4-6-15(14-16)8-5-13-19/h2-4,6-7,9-12,14H,5,8,13,19H2,1H3
PDB

UniProtKB/SwissProt

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338924
PNG
((E)-3-(3-(2,6-dichlorostyryl)phenyl)propan-1-amine...)
Show SMILES NCCCc1cccc(\C=C\c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C17H17Cl2N/c18-16-7-2-8-17(19)15(16)10-9-14-5-1-4-13(12-14)6-3-11-20/h1-2,4-5,7-10,12H,3,6,11,20H2/b10-9+
PDB

UniProtKB/SwissProt

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338925
PNG
((E/Z)-3-(3-(2,6-Dimethylstyryl)phenyl)prop-2-en-1-...)
Show SMILES Cc1cccc(C)c1C=Cc1cccc(\C=C\CN)c1
Show InChI InChI=1S/C19H21N/c1-15-6-3-7-16(2)19(15)12-11-18-9-4-8-17(14-18)10-5-13-20/h3-12,14H,13,20H2,1-2H3/b10-5+,12-11?
PDB

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PC sid
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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338926
PNG
((E)-3-(3-(2,6-dimethoxystyryl)phenyl)propan-1-amin...)
Show SMILES COc1cccc(OC)c1\C=C\c1cccc(CCCN)c1
Show InChI InChI=1S/C19H23NO2/c1-21-18-9-4-10-19(22-2)17(18)12-11-16-7-3-6-15(14-16)8-5-13-20/h3-4,6-7,9-12,14H,5,8,13,20H2,1-2H3/b12-11+
PDB

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338951
PNG
((R,E)-3-Amino-1-(3-(2-(2,6,6-trimethylcyclohex-1- ...)
Show SMILES CC1=C(\C=C\c2cccc(c2)[C@@H](O)CCN)C(C)(C)CCC1
Show InChI InChI=1S/C20H29NO/c1-15-6-5-12-20(2,3)18(15)10-9-16-7-4-8-17(14-16)19(22)11-13-21/h4,7-10,14,19,22H,5-6,11-13,21H2,1-3H3/b10-9+/t19-/m0/s1
PDB

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338928
PNG
((E)-3-amino-1-(3-(2,6-dichlorostyryl)phenyl)propan...)
Show SMILES NCCC(O)c1cccc(\C=C\c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c18-15-5-2-6-16(19)14(15)8-7-12-3-1-4-13(11-12)17(21)9-10-20/h1-8,11,17,21H,9-10,20H2/b8-7+
PDB

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PC sid
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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338929
PNG
((E/Z)-4-amino-2-(3-(2-(2,6,6-trimethylcyclohex-1- ...)
Show SMILES CC1=C(C=Cc2cccc(c2)C(C)(O)CCN)C(C)(C)CCC1
Show InChI InChI=1S/C21H31NO/c1-16-7-6-12-20(2,3)19(16)11-10-17-8-5-9-18(15-17)21(4,23)13-14-22/h5,8-11,15,23H,6-7,12-14,22H2,1-4H3
PDB

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PC sid
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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338930
PNG
((E)-3-fluoro-3-(3-(2-(2,6,6-trimethylcyclohex-1- e...)
Show SMILES CC1=C(\C=C\c2cccc(c2)C(F)CCN)C(C)(C)CCC1
Show InChI InChI=1S/C20H28FN/c1-15-6-5-12-20(2,3)18(15)10-9-16-7-4-8-17(14-16)19(21)11-13-22/h4,7-10,14,19H,5-6,11-13,22H2,1-3H3/b10-9+
PDB

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338931
PNG
((E)-3-amino-1-(3-(2-(2,6,6-trimethylcyclohex-1- en...)
Show SMILES CC1=C(\C=C\c2cccc(c2)C(=O)CCN)C(C)(C)CCC1
Show InChI InChI=1S/C20H27NO/c1-15-6-5-12-20(2,3)18(15)10-9-16-7-4-8-17(14-16)19(22)11-13-21/h4,7-10,14H,5-6,11-13,21H2,1-3H3/b10-9+
PDB

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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
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

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338933
PNG
((E)-1-(3-(2-(2,6,6-trimethylcyclohex-1- enyl)vinyl...)
Show SMILES CC1=C(\C=C\c2cccc(c2)C(N)CCN)C(C)(C)CCC1
Show InChI InChI=1S/C20H30N2/c1-15-6-5-12-20(2,3)18(15)10-9-16-7-4-8-17(14-16)19(22)11-13-21/h4,7-10,14,19H,5-6,11-13,21-22H2,1-3H3/b10-9+
PDB

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338934
PNG
((E)-1-amino-3-(3-(2-(2,6,6-trimethylcyclohex-1- en...)
Show SMILES CC1=C(\C=C\c2cccc(CC(O)CN)c2)C(C)(C)CCC1
Show InChI InChI=1S/C20H29NO/c1-15-6-5-11-20(2,3)19(15)10-9-16-7-4-8-17(12-16)13-18(22)14-21/h4,7-10,12,18,22H,5-6,11,13-14,21H2,1-3H3/b10-9+
PDB

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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
Retinaldehyde-binding protein 1


(Homo sapiens (Human))
BDBM338935
PNG
((E)-3-(3-(2-(2,6,6-trimethylcyclohex-1- enyl)vinyl...)
Show SMILES CC1=C(\C=C\c2cccc(c2)C#CCN)C(C)(C)CCC1
Show InChI InChI=1S/C20H25N/c1-16-7-5-13-20(2,3)19(16)12-11-18-9-4-8-17(15-18)10-6-14-21/h4,8-9,11-12,15H,5,7,13-14,21H2,1-3H3/b12-11+
PDB

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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))
BDBM338936
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/C21H29NO/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/h5,8-11,13,16H,6-7,12,14,22H2,1-4H3/b11-10+
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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))
BDBM338937
PNG
((E)-3-amino-2-fluoro-1-(3-(2-(2,6,6-trimethylcyclo...)
Show SMILES CC1=C(\C=C\c2cccc(c2)C(=O)C(F)CN)C(C)(C)CCC1
Show InChI InChI=1S/C20H26FNO/c1-14-6-5-11-20(2,3)17(14)10-9-15-7-4-8-16(12-15)19(23)18(21)13-22/h4,7-10,12,18H,5-6,11,13,22H2,1-3H3/b10-9+
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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))
BDBM338938
PNG
((R,E)-1-amino-3-(3-(2,6-dichlorostyryl)phenyl)prop...)
Show SMILES NC[C@H](O)Cc1cccc(\C=C\c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c18-16-5-2-6-17(19)15(16)8-7-12-3-1-4-13(9-12)10-14(21)11-20/h1-9,14,21H,10-11,20H2/b8-7+/t14-/m1/s1
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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))
BDBM338939
PNG
((S,E)-1-amino-3-(3-(2,6-dichlorostyryl)phenyl)prop...)
Show SMILES NC[C@@H](O)Cc1cccc(\C=C\c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c18-16-5-2-6-17(19)15(16)8-7-12-3-1-4-13(9-12)10-14(21)11-20/h1-9,14,21H,10-11,20H2/b8-7+/t14-/m0/s1
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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))
BDBM338940
PNG
((E)-4-(3-(3-aminopropyl)phenyl)-2-methylbut-3-en-2...)
Show SMILES CC(C)(O)\C=C\c1cccc(CCCN)c1
Show InChI InChI=1S/C14H21NO/c1-14(2,16)9-8-13-6-3-5-12(11-13)7-4-10-15/h3,5-6,8-9,11,16H,4,7,10,15H2,1-2H3/b9-8+
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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))
BDBM338941
PNG
((E)-3-amino-1-(3-(2,6-dichlorostyryl)phenyl)propan...)
Show SMILES NCCC(=O)c1cccc(\C=C\c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C17H15Cl2NO/c18-15-5-2-6-16(19)14(15)8-7-12-3-1-4-13(11-12)17(21)9-10-20/h1-8,11H,9-10,20H2/b8-7+
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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))
BDBM338942
PNG
((E)-3-amino-1-(3-(2-chloro-6- methylstyryl)phenyl)...)
Show SMILES Cc1cccc(Cl)c1\C=C\c1cccc(c1)C(O)CCN
Show InChI InChI=1S/C18H20ClNO/c1-13-4-2-7-17(19)16(13)9-8-14-5-3-6-15(12-14)18(21)10-11-20/h2-9,12,18,21H,10-11,20H2,1H3/b9-8+
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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))
BDBM338943
PNG
((E)-4-(3-(3-aminopropyl)styryl)heptan-4-ol | US102...)
Show SMILES CCCC(O)(CCC)\C=C\c1cccc(CCCN)c1
Show InChI InChI=1S/C18H29NO/c1-3-11-18(20,12-4-2)13-10-17-8-5-7-16(15-17)9-6-14-19/h5,7-8,10,13,15,20H,3-4,6,9,11-12,14,19H2,1-2H3/b13-10+
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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))
BDBM338945
PNG
((E)-1-(3-(3-aminopropyl)phenyl)hex-1-en-3-ol | US1...)
Show SMILES CCCC(O)\C=C\c1cccc(CCCN)c1
Show InChI InChI=1S/C15H23NO/c1-2-5-15(17)10-9-14-7-3-6-13(12-14)8-4-11-16/h3,6-7,9-10,12,15,17H,2,4-5,8,11,16H2,1H3/b10-9+
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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))
BDBM338948
PNG
((E)-4-(3-(2-aminoethoxy)styryl)heptan-4-ol | US102...)
Show SMILES CCCC(O)(CCC)\C=C\c1cccc(OCCN)c1
Show InChI InChI=1S/C17H27NO2/c1-3-9-17(19,10-4-2)11-8-15-6-5-7-16(14-15)20-13-12-18/h5-8,11,14,19H,3-4,9-10,12-13,18H2,1-2H3/b11-8+
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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))
BDBM338949
PNG
((E)-1-(3-(3-aminopropyl)phenyl)-3-ethylpent-1-en-3...)
Show SMILES CCC(O)(CC)\C=C\c1cccc(CCCN)c1
Show InChI InChI=1S/C16H25NO/c1-3-16(18,4-2)11-10-15-8-5-7-14(13-15)9-6-12-17/h5,7-8,10-11,13,18H,3-4,6,9,12,17H2,1-2H3/b11-10+
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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))
BDBM338950
PNG
((S,E)-3-amino-1-(3-(2-(2,6,6-trimethylcyclohex-1- ...)
Show SMILES CC1=C(\C=C\c2cccc(c2)[C@H](O)CCN)C(C)(C)CCC1
Show InChI InChI=1S/C20H29NO/c1-15-6-5-12-20(2,3)18(15)10-9-16-7-4-8-17(14-16)19(22)11-13-21/h4,7-10,14,19,22H,5-6,11-13,21H2,1-3H3/b10-9+/t19-/m1/s1
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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))
BDBM338919
PNG
((E)-2-methyl-3-(3-(2-(2,6,6-trimethylcyclohex-1- e...)
Show SMILES CC(CN)Cc1cccc(\C=C\C2=C(C)CCCC2(C)C)c1
Show InChI InChI=1S/C21H31N/c1-16(15-22)13-19-9-5-8-18(14-19)10-11-20-17(2)7-6-12-21(20,3)4/h5,8-11,14,16H,6-7,12-13,15,22H2,1-4H3/b11-10+
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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))
BDBM338918
PNG
((E)-3-amino-1-(3-(2-(2,6,6-trimethylcyclohex-1- en...)
Show SMILES CC1=C(\C=C\c2cccc(c2)C(O)CCN)C(C)(C)CCC1
Show InChI InChI=1S/C20H29NO/c1-15-6-5-12-20(2,3)18(15)10-9-16-7-4-8-17(14-16)19(22)11-13-21/h4,7-10,14,19,22H,5-6,11-13,21H2,1-3H3/b10-9+
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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))
BDBM338917
PNG
((E)-3-(3-(hept-1-enyl)phenyl)propan-1-amine | US10...)
Show SMILES CCCCC\C=C\c1cccc(CCCN)c1
Show InChI InChI=1S/C16H25N/c1-2-3-4-5-6-9-15-10-7-11-16(14-15)12-8-13-17/h6-7,9-11,14H,2-5,8,12-13,17H2,1H3/b9-6+
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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))
BDBM338916
PNG
((E)-3-(3-(pent-1-enyl)phenyl)propan-1-amine | US10...)
Show SMILES CCC\C=C\c1cccc(CCCN)c1
Show InChI InChI=1S/C14H21N/c1-2-3-4-7-13-8-5-9-14(12-13)10-6-11-15/h4-5,7-9,12H,2-3,6,10-11,15H2,1H3/b7-4+
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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))
BDBM338915
PNG
((E)-3-(3-(2-cyclohexylvinyl)phenyl)propan-1-amine ...)
Show SMILES NCCCc1cccc(\C=C\C2CCCCC2)c1
Show InChI InChI=1S/C17H25N/c18-13-5-10-16-8-4-9-17(14-16)12-11-15-6-2-1-3-7-15/h4,8-9,11-12,14-15H,1-3,5-7,10,13,18H2/b12-11+
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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))
BDBM338914
PNG
((E)-3-(3-(2-(2,6,6-trimethylcyclohex-1- enyl)vinyl...)
Show SMILES CC1=C(\C=C\c2cccc(CCCN)c2)C(C)(C)CCC1
Show InChI InChI=1S/C20H29N/c1-16-7-5-13-20(2,3)19(16)12-11-18-9-4-8-17(15-18)10-6-14-21/h4,8-9,11-12,15H,5-7,10,13-14,21H2,1-3H3/b12-11+
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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))
BDBM338913
PNG
((E)-3-(3-(2,6-dimethylstyryl)phenyl)propan-1-amine...)
Show SMILES Cc1cccc(C)c1\C=C\c1cccc(CCCN)c1
Show InChI InChI=1S/C19H23N/c1-15-6-3-7-16(2)19(15)12-11-18-9-4-8-17(14-18)10-5-13-20/h3-4,6-9,11-12,14H,5,10,13,20H2,1-2H3/b12-11+
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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))
BDBM338927
PNG
((E)-3-(3-(2,6-bis(trifluoromethyl)styryl)- phenyl)...)
Show SMILES NCCCc1cccc(\C=C\c2c(cccc2C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C19H17F6N/c20-18(21,22)16-7-2-8-17(19(23,24)25)15(16)10-9-14-5-1-4-13(12-14)6-3-11-26/h1-2,4-5,7-10,12H,3,6,11,26H2/b10-9+
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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))
BDBM338972
PNG
((E/Z)-3-(3-(2-ethynylstyryl)phenyl)propan-1-amine ...)
Show SMILES NCCCc1cccc(\C=C/c2ccccc2C#C)c1
Show InChI InChI=1S/C19H19N/c1-2-18-10-3-4-11-19(18)13-12-17-8-5-7-16(15-17)9-6-14-20/h1,3-5,7-8,10-13,15H,6,9,14,20H2/b13-12-
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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))
BDBM338973
PNG
((E/Z)-3-(3-(2-isopropylstyryl)phenyl)propan-1-amin...)
Show SMILES CC(C)c1ccccc1\C=C/c1cccc(CCCN)c1
Show InChI InChI=1S/C20H25N/c1-16(2)20-11-4-3-10-19(20)13-12-18-8-5-7-17(15-18)9-6-14-21/h3-5,7-8,10-13,15-16H,6,9,14,21H2,1-2H3/b13-12-
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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))
BDBM338974
PNG
((E/Z)-3-(3-(2,3-dimethylstyryl)phenyl)propan-1-ami...)
Show SMILES Cc1cccc(\C=C/c2cccc(CCCN)c2)c1C
Show InChI InChI=1S/C19H23N/c1-15-6-3-10-19(16(15)2)12-11-18-8-4-7-17(14-18)9-5-13-20/h3-4,6-8,10-12,14H,5,9,13,20H2,1-2H3/b12-11-
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PC sid
UniChem
US Patent
n/an/a<1.00E+4n/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))
BDBM338976
PNG
((E)-3-(3-(2,6-dimethylstyryl)-4-fluorophenyl)propa...)
Show SMILES Cc1cccc(C)c1\C=C\c1cc(CCCN)ccc1F
Show InChI InChI=1S/C19H22FN/c1-14-5-3-6-15(2)18(14)10-9-17-13-16(7-4-12-21)8-11-19(17)20/h3,5-6,8-11,13H,4,7,12,21H2,1-2H3/b10-9+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/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))
BDBM338977
PNG
((E/Z)-3-(3-(2-(trifluoromethyl)styryl)phenyl)propa...)
Show SMILES NCCCc1cccc(C=Cc2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C18H18F3N/c19-18(20,21)17-9-2-1-8-16(17)11-10-15-6-3-5-14(13-15)7-4-12-22/h1-3,5-6,8-11,13H,4,7,12,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/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))
BDBM338978
PNG
((E/Z)-N-(3-(3-(2,6-dimethylstyryl)phenyl)prop- yl)...)
Show SMILES CC(=O)NCCCc1cccc(C=Cc2c(C)cccc2C)c1
Show InChI InChI=1S/C21H25NO/c1-16-7-4-8-17(2)21(16)13-12-20-10-5-9-19(15-20)11-6-14-22-18(3)23/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/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))
BDBM338979
PNG
((E)-3-methoxy-N-methyl-3-(3-(2-(2,6,6- trimethylcy...)
Show SMILES CNCCC(OC)c1cccc(\C=C\C2=C(C)CCCC2(C)C)c1
Show InChI InChI=1S/C22H33NO/c1-17-8-7-14-22(2,3)20(17)12-11-18-9-6-10-19(16-18)21(24-5)13-15-23-4/h6,9-12,16,21,23H,7-8,13-15H2,1-5H3/b12-11+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/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
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