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Compile Data Set for Download or QSAR

Found 41 hits of kd data for polymerid = 50006046,8873   
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, adipocyte


(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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TBA



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


(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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TBA



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


(Homo sapiens (Human))
BDBM50536996
PNG
(CHEMBL4581404)
Show SMILES Cc1c(Cl)cccc1NCc1cc(=O)n2nc(nc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H16ClN5O/c1-12-15(20)8-5-9-16(12)21-11-14-10-17(26)25-19(22-14)23-18(24-25)13-6-3-2-4-7-13/h2-10,21H,11H2,1H3,(H,22,23,24)
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University of California

Curated by ChEMBL


Assay Description
Binding affinity to recombinant FABP4 (unknown origin) expressed in Escherichia coli by sypro orange dye-based TdF assay


Eur J Med Chem 165: 332-346 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.027
BindingDB Entry DOI: 10.7270/Q2988BJH
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
CHEMBL5282728
PNG
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TBA



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


(Homo sapiens (Human))
BDBM50536999
PNG
(CHEMBL4547281)
Show SMILES Clc1cccc(NCc2cc(=O)n3nc(nc3[nH]2)-c2ccccc2)c1C1CC1
Show InChI InChI=1S/C21H18ClN5O/c22-16-7-4-8-17(19(16)13-9-10-13)23-12-15-11-18(28)27-21(24-15)25-20(26-27)14-5-2-1-3-6-14/h1-8,11,13,23H,9-10,12H2,(H,24,25,26)
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University of California

Curated by ChEMBL


Assay Description
Binding affinity to recombinant FABP4 (unknown origin) expressed in Escherichia coli by sypro orange dye-based TdF assay


Eur J Med Chem 165: 332-346 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.027
BindingDB Entry DOI: 10.7270/Q2988BJH
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(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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n/an/an/a 21n/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50538229
PNG
(CHEMBL4632412)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccccc1
Show InChI InChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50538235
PNG
(CHEMBL4632369)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2OCCc2c1
Show InChI InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50538230
PNG
(CHEMBL4633440)
Show SMILES COc1cccc(Nc2ccccc2C(O)=O)c1-c1ccccc1
Show InChI InChI=1S/C20H17NO3/c1-24-18-13-7-12-17(19(18)14-8-3-2-4-9-14)21-16-11-6-5-10-15(16)20(22)23/h2-13,21H,1H3,(H,22,23)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50538237
PNG
(CHEMBL4638396)
Show SMILES CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccc2OCCc2c1
Show InChI InChI=1S/C22H19ClN2O3/c1-24-18-8-7-17(25-16-5-3-2-4-15(16)22(26)27)20(21(18)23)14-6-9-19-13(12-14)10-11-28-19/h2-9,12,24-25H,10-11H2,1H3,(H,26,27)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50538231
PNG
(CHEMBL4644810)
Show SMILES CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1
Show InChI InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)
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n/an/an/a 60n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50538236
PNG
(CHEMBL4644782)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2occc2c1
Show InChI InChI=1S/C21H14ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-12,23H,(H,24,25)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50538232
PNG
(CHEMBL4640209)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H14ClN3O2/c21-15-5-3-7-18(23-17-6-2-1-4-14(17)20(25)26)19(15)12-8-9-16-13(10-12)11-22-24-16/h1-11,23H,(H,22,24)(H,25,26)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM35919
PNG
(flufenamic acid analogue, 45)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50538233
PNG
(CHEMBL4643718)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2nonc2c1
Show InChI InChI=1S/C19H12ClN3O3/c20-13-5-3-7-16(21-14-6-2-1-4-12(14)19(24)25)18(13)11-8-9-15-17(10-11)23-26-22-15/h1-10,21H,(H,24,25)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50538234
PNG
(CHEMBL4644705)
Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2OCOc2c1
Show InChI InChI=1S/C20H14ClNO4/c21-14-5-3-7-16(22-15-6-2-1-4-13(15)20(23)24)19(14)12-8-9-17-18(10-12)26-11-25-17/h1-10,22H,11H2,(H,23,24)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 150n/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.044
BindingDB Entry DOI: 10.7270/Q24B3119
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM22319
PNG
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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n/an/an/a 180n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(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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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM451177
PNG
(US10709688, Ligand 7)
Show SMILES Cc1ccccc1-c1cc(nn1-c1ccccc1)-c1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C26H24N2O3/c1-19-10-5-6-13-21(19)24-18-23(27-28(24)20-11-3-2-4-12-20)22-14-7-8-15-25(22)31-17-9-16-26(29)30/h2-8,10-15,18H,9,16-17H2,1H3,(H,29,30)
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n/an/an/a 389n/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, adipocyte


(Homo sapiens (Human))
BDBM451178
PNG
(US10709688, Ligand 8)
Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1Br)-c1cc(F)ccc1OCCCC(O)=O
Show InChI InChI=1S/C28H26BrFN2O3/c1-18(2)19-9-12-21(13-10-19)32-26(22-6-3-4-7-24(22)29)17-25(31-32)23-16-20(30)11-14-27(23)35-15-5-8-28(33)34/h3-4,6-7,9-14,16-18H,5,8,15H2,1-2H3,(H,33,34)
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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, adipocyte


(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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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, adipocyte


(Homo sapiens (Human))
BDBM50536998
PNG
(CHEMBL4568855)
Show SMILES COc1ccc(Cl)cc1NCc1cc(=O)n2nc(nc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H16ClN5O2/c1-27-16-8-7-13(20)9-15(16)21-11-14-10-17(26)25-19(22-14)23-18(24-25)12-5-3-2-4-6-12/h2-10,21H,11H2,1H3,(H,22,23,24)
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n/an/an/a 860n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to recombinant FABP4 (unknown origin) expressed in Escherichia coli by sypro orange dye-based TdF assay


Eur J Med Chem 165: 332-346 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.027
BindingDB Entry DOI: 10.7270/Q2988BJH
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
CHEMBL5282255
PNG
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n/an/an/a 860n/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM451175
PNG
(US10709688, Ligand 5)
Show SMILES OC(=O)CCCOc1ccc(F)cc1-c1cc(-c2ccccc2Cl)n(n1)-c1ccccc1
Show InChI InChI=1S/C25H20ClFN2O3/c26-21-10-5-4-9-19(21)23-16-22(28-29(23)18-7-2-1-3-8-18)20-15-17(27)12-13-24(20)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/an/a 1.11E+3n/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, adipocyte


(Homo sapiens (Human))
BDBM451179
PNG
(US10709688, Ligand 9)
Show SMILES C[C@@H](CCOc1ccccc1-c1cc(-c2ccccc2Cl)n(n1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C26H23ClN2O3/c1-18(26(30)31)15-16-32-25-14-8-6-12-21(25)23-17-24(20-11-5-7-13-22(20)27)29(28-23)19-9-3-2-4-10-19/h2-14,17-18H,15-16H2,1H3,(H,30,31)/t18-/m0/s1
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n/an/an/a 1.33E+3n/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, adipocyte


(Homo sapiens (Human))
BDBM50468379
PNG
(CHEMBL4295114)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cc(ccc1F)C(O)=O
Show InChI InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-15-10-11(18(21)22)6-7-14(15)19/h2-10,20H,1H3,(H,21,22)
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n/an/an/a 1.40E+3n/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity to FABP4 (unknown origin) by isothermal calorimetric titration method


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
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM451176
PNG
(US10709688, Ligand 6)
Show SMILES CC(C)c1ccc(cc1)-n1nc(cc1-c1ccccc1Cl)-c1cc(F)ccc1OCCCC(O)=O
Show InChI InChI=1S/C28H26ClFN2O3/c1-18(2)19-9-12-21(13-10-19)32-26(22-6-3-4-7-24(22)29)17-25(31-32)23-16-20(30)11-14-27(23)35-15-5-8-28(33)34/h3-4,6-7,9-14,16-18H,5,8,15H2,1-2H3,(H,33,34)
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n/an/an/a 1.42E+3n/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, adipocyte


(Homo sapiens (Human))
BDBM50468360
PNG
(CHEMBL4280900)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1ccccc1OCC(O)=O)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-26-30(22-13-5-3-6-14-22)31(23-15-7-4-8-16-23)32-33(26)27-19-11-9-17-24(27)25-18-10-12-20-28(25)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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n/an/an/a 1.67E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to FABP4 (unknown origin) by microscale thermophoresis 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, adipocyte


(Homo sapiens (Human))
BDBM451180
PNG
(US10709688, Ligand 10)
Show SMILES C[C@H](CCOc1ccccc1-c1cc(-c2ccccc2Cl)n(n1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C26H23ClN2O3/c1-18(26(30)31)15-16-32-25-14-8-6-12-21(25)23-17-24(20-11-5-7-13-22(20)27)29(28-23)19-9-3-2-4-10-19/h2-14,17-18H,15-16H2,1H3,(H,30,31)/t18-/m1/s1
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n/an/an/a 1.76E+3n/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, adipocyte


(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/an/a 2.05E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Direct binding to His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry


Bioorg Med Chem 24: 4310-4317 (2016)


Article DOI: 10.1016/j.bmc.2016.07.022
BindingDB Entry DOI: 10.7270/Q2NC634M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(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/an/a 2.33E+3n/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, adipocyte


(Homo sapiens (Human))
BDBM50187488
PNG
(CHEMBL3828508)
Show SMILES OC(=O)C1C2CC=CC2c2cc(Br)cc3C4C=CCC4CN1c23 |c:6,17|
Show InChI InChI=1S/C19H18BrNO2/c20-11-7-15-12-4-1-3-10(12)9-21-17(15)16(8-11)13-5-2-6-14(13)18(21)19(22)23/h1-2,4-5,7-8,10,12-14,18H,3,6,9H2,(H,22,23)
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n/an/an/a 2.65E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Direct binding to His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry


Bioorg Med Chem 24: 4310-4317 (2016)


Article DOI: 10.1016/j.bmc.2016.07.022
BindingDB Entry DOI: 10.7270/Q2NC634M
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50574783
PNG
(CHEMBL4864312)
Show SMILES COc1c(cc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(CC(O)=O)c1)-c1ccc(F)cc1C
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n/an/an/a 3.14E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to FABP4 (unknown origin) by microscale thermophoresis 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, adipocyte


(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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n/an/an/a 3.82E+3n/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, adipocyte


(Homo sapiens (Human))
BDBM50468370
PNG
(CHEMBL4293576)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(C(O)=O)c1F
Show InChI InChI=1S/C18H14FNO5S/c1-25-15-9-10-16(12-6-3-2-5-11(12)15)26(23,24)20-14-8-4-7-13(17(14)19)18(21)22/h2-10,20H,1H3,(H,21,22)
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n/an/an/a 6.03E+3n/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity to FABP4 (unknown origin) by isothermal calorimetric titration method


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
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(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/an/a 6.67E+3n/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, adipocyte


(Homo sapiens (Human))
BDBM50574778
PNG
(CHEMBL4851660)
Show SMILES OC(=O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3Cl)c3ccccc23)ccc1F
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n/an/an/a 1.11E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to FABP4 (unknown origin) by microscale thermophoresis 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, adipocyte


(Homo sapiens (Human))
BDBM50250904
PNG
(CHEMBL460657 | Elaidinsaeure | elaidic acid | tran...)
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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n/an/an/a 5.80E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50240485
PNG
(18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...)
Show SMILES CCCCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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n/an/an/a 8.00E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(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/an/a 8.30E+4n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against Adipocyte lipid binding protein


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair