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Compile Data Set for Download or QSAR

Found 95 hits of ic50 for UniProtKB: P05413   
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
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50247996
PNG
(5-(2-(trifluoromethyl)benzyl)-5,6,7,8,9,10-hexahyd...)
Show SMILES OC(=O)c1cccc2c3CCCCCc3n(Cc3ccccc3C(F)(F)F)c12
Show InChI InChI=1S/C22H20F3NO2/c23-22(24,25)18-11-5-4-7-14(18)13-26-19-12-3-1-2-8-15(19)16-9-6-10-17(20(16)26)21(27)28/h4-7,9-11H,1-3,8,12-13H2,(H,27,28)
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n/an/a 34n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by scintillation proximity assay


Bioorg Med Chem Lett 19: 1745-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM451164
PNG
(US10709688, Example 4)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2Br)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H21BrN2O3/c26-21-13-6-4-11-19(21)23-17-22(27-28(23)18-9-2-1-3-10-18)20-12-5-7-14-24(20)31-16-8-15-25(29)30/h1-7,9-14,17H,8,15-16H2,(H,29,30)
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n/an/a 52n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM451161
PNG
(4-(2-(1-(2-Methoxyphenyl)-5-phenyl-H-pyrazol-3-yl)...)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2Cl)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H21ClN2O3/c26-21-13-6-4-11-19(21)23-17-22(27-28(23)18-9-2-1-3-10-18)20-12-5-7-14-24(20)31-16-8-15-25(29)30/h1-7,9-14,17H,8,15-16H2,(H,29,30)
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n/an/a 77n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 230n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP4 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.020
BindingDB Entry DOI: 10.7270/Q29K4CXF
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM451163
PNG
(US10709688, Example 3 | US10709688, Ligand 3)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H20Cl2N2O3/c26-20-13-12-18(15-21(20)27)29-23(17-7-2-1-3-8-17)16-22(28-29)19-9-4-5-10-24(19)32-14-6-11-25(30)31/h1-5,7-10,12-13,15-16H,6,11,14H2,(H,30,31)
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n/an/a 280n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 450n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP4 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.020
BindingDB Entry DOI: 10.7270/Q29K4CXF
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM451169
PNG
(US10709688, Example 9)
Show SMILES OC(=O)CCCOc1ccc(F)cc1-c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H21FN2O3/c26-19-13-14-24(31-15-7-12-25(29)30)21(16-19)22-17-23(18-8-3-1-4-9-18)28(27-22)20-10-5-2-6-11-20/h1-6,8-11,13-14,16-17H,7,12,15H2,(H,29,30)
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n/an/a 510n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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<600n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50248238
PNG
(9-(2-methylbenzyl)-8-(prop-1-en-2-yl)-2,3,4,9-tetr...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3ccccc3F)c12
Show InChI InChI=1S/C20H18FNO2/c21-17-10-3-1-6-13(17)12-22-18-11-4-2-7-14(18)15-8-5-9-16(19(15)22)20(23)24/h1,3,5-6,8-10H,2,4,7,11-12H2,(H,23,24)
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n/an/a 680n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


Bioorg Med Chem Lett 19: 1745-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429939
PNG
(CHEMBL2334261 | US10709688, Example 6)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H21ClN2O3/c26-19-10-6-11-20(16-19)28-23(18-8-2-1-3-9-18)17-22(27-28)21-12-4-5-13-24(21)31-15-7-14-25(29)30/h1-6,8-13,16-17H,7,14-15H2,(H,29,30)
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n/an/a 695n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429939
PNG
(CHEMBL2334261 | US10709688, Example 6)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H21ClN2O3/c26-19-10-6-11-20(16-19)28-23(18-8-2-1-3-9-18)17-22(27-28)21-12-4-5-13-24(21)31-15-7-14-25(29)30/h1-6,8-13,16-17H,7,14-15H2,(H,29,30)
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n/an/a 700n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429933
PNG
(CHEMBL2334255 | US10709688, Example 2)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H21BrN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 730n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429932
PNG
(CHEMBL2334256)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 733n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429933
PNG
(CHEMBL2334255 | US10709688, Example 2)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H21BrN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 733n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429942
PNG
(CHEMBL2334257 | US10709688, Example 5)
Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C28H28N2O3/c1-20(2)21-14-16-23(17-15-21)30-26(22-9-4-3-5-10-22)19-25(29-30)24-11-6-7-12-27(24)33-18-8-13-28(31)32/h3-7,9-12,14-17,19-20H,8,13,18H2,1-2H3,(H,31,32)
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n/an/a 787n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429942
PNG
(CHEMBL2334257 | US10709688, Example 5)
Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C28H28N2O3/c1-20(2)21-14-16-23(17-15-21)30-26(22-9-4-3-5-10-22)19-25(29-30)24-11-6-7-12-27(24)33-18-8-13-28(31)32/h3-7,9-12,14-17,19-20H,8,13,18H2,1-2H3,(H,31,32)
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n/an/a 790n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50525617
PNG
(CHEMBL4560388)
Show SMILES Cc1c(Cl)cccc1OCc1cc(=O)n2nc(nc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H15ClN4O2/c1-12-15(20)8-5-9-16(12)26-11-14-10-17(25)24-19(21-14)22-18(23-24)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,22,23)
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n/an/a 800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP4 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.020
BindingDB Entry DOI: 10.7270/Q29K4CXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP3 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.020
BindingDB Entry DOI: 10.7270/Q29K4CXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP3 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to li...


Bioorg Med Chem Lett 20: 3675-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.095
BindingDB Entry DOI: 10.7270/Q2CV4HXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429934
PNG
(CHEMBL2334254 | US10709688, Example 7)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429940
PNG
(CHEMBL2334259)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccccc1Cl
Show InChI InChI=1S/C25H21ClN2O3/c26-20-12-5-6-13-22(20)28-23(18-9-2-1-3-10-18)17-21(27-28)19-11-4-7-14-24(19)31-16-8-15-25(29)30/h1-7,9-14,17H,8,15-16H2,(H,29,30)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM451168
PNG
(US10709688, Example 8)
Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C29H30N2O3/c1-29(2,3)22-15-17-23(18-16-22)31-26(21-10-5-4-6-11-21)20-25(30-31)24-12-7-8-13-27(24)34-19-9-14-28(32)33/h4-8,10-13,15-18,20H,9,14,19H2,1-3H3,(H,32,33)
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US Patent
n/an/a 1.30E+3n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50615302
PNG
(CHEMBL5282728)
Show SMILES Clc1cccc(OCc2[nH]c3nc(nn3c(=O)c2Cl)-c2ccccc2)c1C1CC1
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429941
PNG
(CHEMBL2334258)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C26H24N2O4/c1-31-21-15-13-20(14-16-21)28-24(19-8-3-2-4-9-19)18-23(27-28)22-10-5-6-11-25(22)32-17-7-12-26(29)30/h2-6,8-11,13-16,18H,7,12,17H2,1H3,(H,29,30)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50615303
PNG
(CHEMBL5282255)
Show SMILES COc1cccc(Cl)c1NCc1cc(=O)n2nc(nc2[nH]1)-c1ccccc1
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50319700
PNG
(2-(2-(2-chloro-6-phenoxybenzylamino)-2-oxoethylthi...)
Show SMILES OC(=O)CSCC(=O)NCc1c(Cl)cccc1Oc1ccccc1
Show InChI InChI=1S/C17H16ClNO4S/c18-14-7-4-8-15(23-12-5-2-1-3-6-12)13(14)9-19-16(20)10-24-11-17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP3 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to li...


Bioorg Med Chem Lett 20: 3675-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.095
BindingDB Entry DOI: 10.7270/Q2CV4HXG
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50574782
PNG
(CHEMBL4866912)
Show SMILES Cc1c(Cl)cccc1OCc1[nH]c2nc(nn2c(=O)c1C)-c1ccccc1
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n/an/a 1.95E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 1,8-ANS from FABP3 (unknown origin) incubated for 3 mins by fluorescence based analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113720
BindingDB Entry DOI: 10.7270/Q2MW2MZX
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50525617
PNG
(CHEMBL4560388)
Show SMILES Cc1c(Cl)cccc1OCc1cc(=O)n2nc(nc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H15ClN4O2/c1-12-15(20)8-5-9-16(12)26-11-14-10-17(25)24-19(21-14)22-18(23-24)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,22,23)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from FABP3 (unknown origin) incubated for 3 mins by fluorescence based assay


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.07.031
BindingDB Entry DOI: 10.7270/Q2CV4N58
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429934
PNG
(CHEMBL2334254 | US10709688, Example 7)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O3/c26-19-12-14-20(15-13-19)28-23(18-7-2-1-3-8-18)17-22(27-28)21-9-4-5-10-24(21)31-16-6-11-25(29)30/h1-5,7-10,12-15,17H,6,11,16H2,(H,29,30)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429935
PNG
(CHEMBL2334251)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H22N2O3/c28-25(29)16-9-17-30-24-15-8-7-14-21(24)22-18-23(19-10-3-1-4-11-19)27(26-22)20-12-5-2-6-13-20/h1-8,10-15,18H,9,16-17H2,(H,28,29)
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n/an/a 2.01E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 2.60E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heart and muscle fatty acid binding protein(H-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.057
BindingDB Entry DOI: 10.7270/Q2XD1155
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Fatty acid-binding protein, heart


(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 2.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50247987
PNG
(9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxy...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3ccccc3)c12
Show InChI InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23)
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n/an/a 3.88E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


Bioorg Med Chem Lett 19: 1745-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 4.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP3 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.020
BindingDB Entry DOI: 10.7270/Q29K4CXF
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50197093
PNG
(CHEMBL3959018)
Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of FABP3 (unknown origin)


Eur J Med Chem 154: 44-59 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.007
BindingDB Entry DOI: 10.7270/Q2BR8VWB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 5.16E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP3 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.020
BindingDB Entry DOI: 10.7270/Q29K4CXF
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429937
PNG
(CHEMBL2334243)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCCC1
Show InChI InChI=1S/C25H28N2O3/c28-25(29)16-9-17-30-24-15-8-7-14-21(24)22-18-23(19-10-3-1-4-11-19)27(26-22)20-12-5-2-6-13-20/h1,3-4,7-8,10-11,14-15,18,20H,2,5-6,9,12-13,16-17H2,(H,28,29)
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n/an/a 5.26E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50248239
PNG
(9-(3-fluorobenzyl)-2,3,4,9-tetrahydro-1H-carbazole...)
Show SMILES OC(=O)c1cccc2c3CCCCc3n(Cc3cccc(F)c3)c12
Show InChI InChI=1S/C20H18FNO2/c21-14-6-3-5-13(11-14)12-22-18-10-2-1-7-15(18)16-8-4-9-17(19(16)22)20(23)24/h3-6,8-9,11H,1-2,7,10,12H2,(H,23,24)
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n/an/a 5.57E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


Bioorg Med Chem Lett 19: 1745-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 5.70E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 5.70E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heart and muscle fatty acid binding protein(H-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.057
BindingDB Entry DOI: 10.7270/Q2XD1155
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429938
PNG
(CHEMBL2334262)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCC1
Show InChI InChI=1S/C24H26N2O3/c27-24(28)15-8-16-29-23-14-7-6-13-20(23)21-17-22(18-9-2-1-3-10-18)26(25-21)19-11-4-5-12-19/h1-3,6-7,9-10,13-14,17,19H,4-5,8,11-12,15-16H2,(H,27,28)
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n/an/a 6.03E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50319699
PNG
(2-(2-oxo-2-(2-(piperidin-1-yl)benzylamino)ethylthi...)
Show SMILES OC(=O)CSCC(=O)NCc1ccccc1N1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c19-15(11-22-12-16(20)21)17-10-13-6-2-3-7-14(13)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-12H2,(H,17,19)(H,20,21)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP3 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to li...


Bioorg Med Chem Lett 20: 3675-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.095
BindingDB Entry DOI: 10.7270/Q2CV4HXG
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429936
PNG
(CHEMBL2334244)
Show SMILES OC(=O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(n1)C1CCCCCC1
Show InChI InChI=1S/C26H30N2O3/c29-26(30)17-10-18-31-25-16-9-8-15-22(25)23-19-24(20-11-4-3-5-12-20)28(27-23)21-13-6-1-2-7-14-21/h3-5,8-9,11-12,15-16,19,21H,1-2,6-7,10,13-14,17-18H2,(H,29,30)
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n/an/a 6.47E+3n/an/an/an/an/an/a



Okayama University 1-1-1

Curated by ChEMBL


Assay Description
Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay


Bioorg Med Chem Lett 23: 1662-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.054
BindingDB Entry DOI: 10.7270/Q29P330P
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 9.80E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heart and muscle fatty acid binding protein(H-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.057
BindingDB Entry DOI: 10.7270/Q2XD1155
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 9.90E+3n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heart and muscle fatty acid binding protein(H-FABP)


Bioorg Med Chem Lett 14: 4445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.057
BindingDB Entry DOI: 10.7270/Q2XD1155
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(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 9.90E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50429952
PNG
(CHEMBL2334260 | US10709688, Ligand 4)
Show SMILES COc1ccccc1-n1nc(cc1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C26H24N2O4/c1-31-25-15-8-6-13-22(25)28-23(19-10-3-2-4-11-19)18-21(27-28)20-12-5-7-14-24(20)32-17-9-16-26(29)30/h2-8,10-15,18H,9,16-17H2,1H3,(H,29,30)
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Tohoku University; National University Corporation Okayama University

US Patent


Assay Description
A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 μL of sodium phosphate buffer and a...


US Patent US10709688 (2020)


BindingDB Entry DOI: 10.7270/Q2FF3WDD
More data for this
Ligand-Target Pair
Fatty acid-binding protein, heart


(Homo sapiens (Human))
BDBM50248237
PNG
(9-(4-methoxybenzyl)-2,3,4,9-tetrahydro-1H-carbazol...)
Show SMILES COc1ccc(Cn2c3CCCCc3c3cccc(C(O)=O)c23)cc1
Show InChI InChI=1S/C21H21NO3/c1-25-15-11-9-14(10-12-15)13-22-19-8-3-2-5-16(19)17-6-4-7-18(20(17)22)21(23)24/h4,6-7,9-12H,2-3,5,8,13H2,1H3,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Biovitrum AB

Curated by ChEMBL


Assay Description
Inhibition of human H-FABP by fluorescence polarization assay


Bioorg Med Chem Lett 19: 1745-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.084
BindingDB Entry DOI: 10.7270/Q2TX3F8G
More data for this
Ligand-Target Pair
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