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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 5 (FABP5)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212876
PNG
(2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid | CHE...)
Show SMILES OC(=O)c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)
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2n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50192463
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)acetic acid | ...)
Show SMILES OC(=O)Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O4/c23-18-9-3-1-6-16(18)13-27-20-11-5-8-15(12-21(25)26)22(20)28-14-17-7-2-4-10-19(17)24/h1-11H,12-14H2,(H,25,26)
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50192465
PNG
(2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-methoxyacet...)
Show SMILES COC(C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2O5/c1-28-22(23(26)27)17-9-6-12-20(29-13-15-7-2-4-10-18(15)24)21(17)30-14-16-8-3-5-11-19(16)25/h2-12,22H,13-14H2,1H3,(H,26,27)
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50192462
PNG
((S)-2-(2,3-bis(2-chlorobenzyloxy)phenyl)-2-hydroxy...)
Show SMILES O[C@H](C(O)=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H18Cl2O5/c23-17-9-3-1-6-14(17)12-28-19-11-5-8-16(20(25)22(26)27)21(19)29-13-15-7-2-4-10-18(15)24/h1-11,20,25H,12-13H2,(H,26,27)/t20-/m0/s1
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212875
PNG
(2'-(5-ethyl-3,4-diphenyl-pyrazol-1-yl)-biphenyl-3-...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H24N2O2/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)31-32(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(33)34/h3-20H,2H2,1H3,(H,33,34)
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240n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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248n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212886
PNG
(CHEMBL247529 | [2'-(3-ethyl-4,5-diphenyl-furan-2-y...)
Show SMILES CCc1c(oc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C32H26O4/c1-2-26-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)36-32(26)28-19-10-9-18-27(28)24-16-11-17-25(20-24)35-21-29(33)34/h3-20H,2,21H2,1H3,(H,33,34)
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290n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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350n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212882
PNG
(CHEMBL248120 | [2'-(5-ethyl-3,4-diphenyl-pyrazol-1...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(c1)C(O)C(O)=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-26-28(21-12-5-3-6-13-21)29(22-14-7-4-8-15-22)32-33(26)27-19-10-9-18-25(27)23-16-11-17-24(20-23)30(34)31(35)36/h3-20,30,34H,2H2,1H3,(H,35,36)
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550n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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802n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212884
PNG
(CHEMBL245284 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)
Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C31H26N2O3/c1-2-33-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)32-31(33)27-19-10-9-18-26(27)24-16-11-17-25(20-24)36-21-28(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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830n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212881
PNG
(CHEMBL396698 | [2'-(1-methyl-4,5-diphenyl-1H-imida...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(OCC(O)=O)c1
Show InChI InChI=1S/C30H24N2O3/c1-32-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)31-30(32)26-18-9-8-17-25(26)23-15-10-16-24(19-23)35-20-27(33)34/h2-19H,20H2,1H3,(H,33,34)
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830n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212874
PNG
(CHEMBL248145 | [2'-(4,5-diphenyl-1H-imidazol-2-yl)...)
Show SMILES OC(=O)CNc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H23N3O2/c33-26(34)19-30-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-31-27(20-10-3-1-4-11-20)28(32-29)21-12-5-2-6-13-21/h1-18,30H,19H2,(H,31,32)(H,33,34)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212878
PNG
(CHEMBL246902 | [2'-(4,5-diphenyl-furan-2-yl)-biphe...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H22O4/c31-29(32)20-33-24-15-9-14-23(18-24)25-16-7-8-17-26(25)28-19-27(21-10-3-1-4-11-21)30(34-28)22-12-5-2-6-13-22/h1-19H,20H2,(H,31,32)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212887
PNG
(CHEMBL394966 | [2'-(4,5-diphenyl-1H-pyrrol-2-yl)-b...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1cc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H23NO3/c32-29(33)20-34-24-15-9-14-23(18-24)25-16-7-8-17-26(25)28-19-27(21-10-3-1-4-11-21)30(31-28)22-12-5-2-6-13-22/h1-19,31H,20H2,(H,32,33)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50029969
PNG
(CHEMBL126078 | [2'-(4,5-Diphenyl-oxazol-2-yl)-biph...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H21NO4/c31-26(32)19-33-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(34-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,31,32)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212877
PNG
(CHEMBL245653 | [2'-(1-ethyl-4,5-diphenyl-1H-imidaz...)
Show SMILES CCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C31H27N3O2/c1-2-34-30(23-14-7-4-8-15-23)29(22-12-5-3-6-13-22)33-31(34)27-19-10-9-18-26(27)24-16-11-17-25(20-24)32-21-28(35)36/h3-20,32H,2,21H2,1H3,(H,35,36)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212885
PNG
(CHEMBL245282 | [2'-(1-methyl-4,5-diphenyl-1H-imida...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C30H25N3O2/c1-33-29(22-13-6-3-7-14-22)28(21-11-4-2-5-12-21)32-30(33)26-18-9-8-17-25(26)23-15-10-16-24(19-23)31-20-27(34)35/h2-19,31H,20H2,1H3,(H,34,35)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212883
PNG
(CHEMBL397385 | {2'-[1-(2-fluoro-ethyl)-4,5-dipheny...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c(-c2ccccc2)n1CCF)-c1ccccc1
Show InChI InChI=1S/C31H25FN2O3/c32-18-19-34-30(23-12-5-2-6-13-23)29(22-10-3-1-4-11-22)33-31(34)27-17-8-7-16-26(27)24-14-9-15-25(20-24)37-21-28(35)36/h1-17,20H,18-19,21H2,(H,35,36)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50192464
PNG
(1-(2,3-bis(2-chlorobenzyloxy)phenyl)ethane-1,2-dio...)
Show SMILES OCC(O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2O4/c23-18-9-3-1-6-15(18)13-27-21-11-5-8-17(20(26)12-25)22(21)28-14-16-7-2-4-10-19(16)24/h1-11,20,25-26H,12-14H2
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human kFABP


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212880
PNG
(CHEMBL245857 | [2'-(1-isobutyl-4,5-diphenyl-1H-imi...)
Show SMILES CC(C)Cn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1-c1cccc(NCC(O)=O)c1
Show InChI InChI=1S/C33H31N3O2/c1-23(2)22-36-32(25-14-7-4-8-15-25)31(24-12-5-3-6-13-24)35-33(36)29-19-10-9-18-28(29)26-16-11-17-27(20-26)34-21-30(37)38/h3-20,23,34H,21-22H2,1-2H3,(H,37,38)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212872
PNG
(CHEMBL246062 | [2'-(1-carboxymethyl-4,5-diphenyl-1...)
Show SMILES OC(=O)CNc1cccc(c1)-c1ccccc1-c1nc(c(-c2ccccc2)n1CC(O)=O)-c1ccccc1
Show InChI InChI=1S/C31H25N3O4/c35-27(36)19-32-24-15-9-14-23(18-24)25-16-7-8-17-26(25)31-33-29(21-10-3-1-4-11-21)30(34(31)20-28(37)38)22-12-5-2-6-13-22/h1-18,32H,19-20H2,(H,35,36)(H,37,38)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50002838
PNG
(5-(2-(4,5-diphenyloxazol-2-yl)phenoxy)pentanoic ac...)
Show SMILES OC(=O)CCCCOc1ccccc1-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H23NO4/c28-23(29)17-9-10-18-30-22-16-8-7-15-21(22)26-27-24(19-11-3-1-4-12-19)25(31-26)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,28,29)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50212879
PNG
(CHEMBL248144 | [2'-(4,5-diphenyl-1H-imidazol-2-yl)...)
Show SMILES OC(=O)COc1cccc(c1)-c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H22N2O3/c32-26(33)19-34-23-15-9-14-22(18-23)24-16-7-8-17-25(24)29-30-27(20-10-3-1-4-11-20)28(31-29)21-12-5-2-6-13-21/h1-18H,19H2,(H,30,31)(H,32,33)
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>2.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from eFABP by fluorescence based-assay


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50310988
PNG
(4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]am...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1cccs1
Show InChI InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+
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3.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of radiolabeled 1-anilinonapthalene 8-sulfonic acid from EFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometr...


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152850
PNG
(1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...)
Show SMILES CCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152858
PNG
(5-Carbazol-9-yl-pentanoic acid | CHEMBL184795)
Show SMILES OC(=O)CCCCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C17H17NO2/c19-17(20)11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10H,5-6,11-12H2,(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212456
PNG
(US9278918, 46)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)cc(Cl)c1-c1ccccc1
Show InChI InChI=1S/C19H18Cl2N2O3/c20-13-10-14(21)16(12-6-2-1-3-7-12)15(11-13)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26)
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n/an/a 3.79E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212457
PNG
(US9278918, 47)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(ccc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O3/c21-20(22,23)14-8-9-15(13-6-2-1-3-7-13)16(12-14)24-18(28)25-19(17(26)27)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,26,27)(H2,24,25,28)
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n/an/a 6.35E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152851
PNG
(4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | 4-Carbazol-9-y...)
Show SMILES OC(=O)CCCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152857
PNG
(3-(Carbazole-9-sulfonyl)-thiophene-2-carboxylic ac...)
Show SMILES OC(=O)c1sccc1S(=O)(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C17H11NO4S2/c19-17(20)16-15(9-10-23-16)24(21,22)18-13-7-3-1-5-11(13)12-6-2-4-8-14(12)18/h1-10H,(H,19,20)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212454
PNG
(US9278918, 44)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1
Show InChI InChI=1S/C19H18ClFN2O3/c20-14-11-16(13(10-15(14)21)12-6-2-1-3-7-12)22-18(26)23-19(17(24)25)8-4-5-9-19/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)(H2,22,23,26)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152852
PNG
(3-(5-Bromo-indole-1-sulfonyl)-thiophene-2-carboxyl...)
Show SMILES OC(=O)c1sccc1S(=O)(=O)n1ccc2cc(Br)ccc12
Show InChI InChI=1S/C13H8BrNO4S2/c14-9-1-2-10-8(7-9)3-5-15(10)21(18,19)11-4-6-20-12(11)13(16)17/h1-7H,(H,16,17)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50063854
PNG
(CHEMBL3400157)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O
Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP5 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152853
PNG
(2-(Carbazole-9-sulfonyl)-benzoic acid | CHEMBL3641...)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C19H13NO4S/c21-19(22)15-9-3-6-12-18(15)25(23,24)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-12H,(H,21,22)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212461
PNG
(US9278918, 51)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1ccc(Cl)cc1-c1ccccc1
Show InChI InChI=1S/C19H19ClN2O3/c20-14-8-9-16(15(12-14)13-6-2-1-3-7-13)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25)
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n/an/a 1.71E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212451
PNG
(US9278918, 41)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H18ClFN2O3/c20-13-5-8-15(12-3-6-14(21)7-4-12)16(11-13)22-18(26)23-19(17(24)25)9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,24,25)(H2,22,23,26)
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n/an/a 1.96E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212447
PNG
(US9278918, 33)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C19H19ClN2O3/c20-14-8-9-15(13-6-2-1-3-7-13)16(12-14)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25)
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n/an/a 2.36E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212455
PNG
(US9278918, 45)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)cc(Cl)c1-c1ccccc1
Show InChI InChI=1S/C17H14Cl2N2O3/c18-11-8-12(19)14(10-4-2-1-3-5-10)13(9-11)20-16(24)21-17(6-7-17)15(22)23/h1-5,8-9H,6-7H2,(H,22,23)(H2,20,21,24)
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n/an/a 2.83E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50152856
PNG
(3-Carbazol-9-yl-propionic acid | CHEMBL184817)
Show SMILES OC(=O)CCn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C15H13NO2/c17-15(18)9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,17,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212453
PNG
(US9278918, 43)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1ccc(Cl)cc1-c1ccccc1
Show InChI InChI=1S/C17H15ClN2O3/c18-12-6-7-14(13(10-12)11-4-2-1-3-5-11)19-16(23)20-17(8-9-17)15(21)22/h1-7,10H,8-9H2,(H,21,22)(H2,19,20,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212452
PNG
(US9278918, 42)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)c(F)cc1-c1ccccc1
Show InChI InChI=1S/C17H14ClFN2O3/c18-12-9-14(20-16(24)21-17(6-7-17)15(22)23)11(8-13(12)19)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,22,23)(H2,20,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212450
PNG
(US9278918, 40)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H14ClFN2O3/c18-11-3-6-13(10-1-4-12(19)5-2-10)14(9-11)20-16(24)21-17(7-8-17)15(22)23/h1-6,9H,7-8H2,(H,22,23)(H2,20,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212448
PNG
(US9278918, 34)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C17H15ClN2O3/c18-12-6-7-13(11-4-2-1-3-5-11)14(10-12)19-16(23)20-17(8-9-17)15(21)22/h1-7,10H,8-9H2,(H,21,22)(H2,19,20,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212446
PNG
(US9278918, 32)
Show SMILES CN(C(=O)Nc1ccccc1-c1ccccc1)C1(CC1)C(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-20(18(11-12-18)16(21)22)17(23)19-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,23)(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50063855
PNG
(CHEMBL3400905)
Show SMILES CC(C)c1cc(C(C)C)c(C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP5 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212449
PNG
(US9278918, 35)
Show SMILES OC(=O)C1(CCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C18H17ClN2O3/c19-13-7-8-14(12-5-2-1-3-6-12)15(11-13)20-17(24)21-18(16(22)23)9-4-10-18/h1-3,5-8,11H,4,9-10H2,(H,22,23)(H2,20,21,24)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212458
PNG
(US9278918, 48)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1cc(ccc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O3/c19-18(20,21)12-6-7-13(11-4-2-1-3-5-11)14(10-12)22-16(26)23-17(8-9-17)15(24)25/h1-7,10H,8-9H2,(H,24,25)(H2,22,23,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212459
PNG
(US9278918, 49)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1ccc(Cl)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H18ClFN2O3/c20-13-5-8-16(15(11-13)12-3-6-14(21)7-4-12)22-18(26)23-19(17(24)25)9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,24,25)(H2,22,23,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM212460
PNG
(US9278918, 50)
Show SMILES OC(=O)C1(CC1)NC(=O)Nc1ccc(Cl)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H14ClFN2O3/c18-11-3-6-14(13(9-11)10-1-4-12(19)5-2-10)20-16(24)21-17(7-8-17)15(22)23/h1-6,9H,7-8H2,(H,22,23)(H2,20,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)

More data for this
Ligand-Target Pair
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