Compile Data Set for Download or QSAR
Found 97 Enz. Inhib. hit(s) with all data for entry = 9806
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489718(US10968163, Compound 3l-D)
Show SMILES OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)O[C@H]1CCCCC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23?,24-,25+,26+,27-,28-/m0/s1
Affinity DataKi:  10nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489714(US10968163, Compound 3l)
Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/p-1/t23-,24+,25?,26?,27?,28?/m0/s1
Affinity DataKi:  20nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489717(US10968163, Compound 3l-C)
Show SMILES OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23-,24+,25+,26+,27-,28-/m0/s1
Affinity DataKi:  20nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489713(US10968163, Compound 3k)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(Cl)c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C24H17Cl3O4/c25-15-11-12-16(22(27)21(15)26)31-24(30)20-17(13-7-3-1-4-8-13)19(23(28)29)18(20)14-9-5-2-6-10-14/h1-12,17-20H,(H,28,29)/t17-,18-,19-,20-/m0/s1
Affinity DataKi:  20nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489716(US10968163, Compound 3l-B)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@H]1CCCCC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23?,24-,25-,26-,27-,28-/m0/s1
Affinity DataKi:  30nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468465(CHEMBL4288603 | US10968163, Compound 3l-A)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23-,24+,25-,26-,27-,28-/m0/s1
Affinity DataKi:  30nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489733(US10968163, Compound 4e)
Show SMILES COc1ccccc1C1C(C(C1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1OC)C([O-])=O
Show InChI InChI=1S/C32H34O6/c1-36-24-17-9-7-15-22(24)27-29(31(33)34)28(23-16-8-10-18-25(23)37-2)30(27)32(35)38-26-19-11-6-14-21(26)20-12-4-3-5-13-20/h3-5,7-10,12-13,15-18,21,26-30H,6,11,14,19H2,1-2H3,(H,33,34)/p-1/t21-,26+,27?,28?,29?,30?/m0/s1
Affinity DataKi:  30nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489714(US10968163, Compound 3l)
Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/p-1/t23-,24+,25?,26?,27?,28?/m0/s1
Affinity DataKi:  30nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468474(CHEMBL4293553 | US10968163, Compound 3d)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C25H21BrO4/c26-19-13-11-16(12-14-19)15-30-25(29)23-20(17-7-3-1-4-8-17)22(24(27)28)21(23)18-9-5-2-6-10-18/h1-14,20-23H,15H2,(H,27,28)/t20-,21-,22-,23-/m0/s1
Affinity DataKi:  30nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468463(CHEMBL4290535 | US10968163, Compound 3i)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(cc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H24O4/c31-29(32)27-25(22-12-6-2-7-13-22)28(26(27)23-14-8-3-9-15-23)30(33)34-24-18-16-21(17-19-24)20-10-4-1-5-11-20/h1-19,25-28H,(H,31,32)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  30nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468443(CHEMBL4287414 | US10968163, Compound 4b)
Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccccc1OC)C(O)=O
Show InChI InChI=1S/C30H26O6/c1-34-22-15-7-5-13-20(22)25-27(29(31)32)26(21-14-6-8-16-23(21)35-2)28(25)30(33)36-24-17-9-11-18-10-3-4-12-19(18)24/h3-17,25-28H,1-2H3,(H,31,32)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  40nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468443(CHEMBL4287414 | US10968163, Compound 4b)
Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccccc1OC)C(O)=O
Show InChI InChI=1S/C30H26O6/c1-34-22-15-7-5-13-20(22)25-27(29(31)32)26(21-14-6-8-16-23(21)35-2)28(25)30(33)36-24-17-9-11-18-10-3-4-12-19(18)24/h3-17,25-28H,1-2H3,(H,31,32)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  50nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468446(CHEMBL4292323 | US10968163, Compound 4k)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C32H24Cl2O4/c33-25-15-7-5-13-22(25)27-29(31(35)36)28(23-14-6-8-16-26(23)34)30(27)32(37)38-17-24-20-11-3-1-9-18(20)19-10-2-4-12-21(19)24/h1-16,24,27-30H,17H2,(H,35,36)/t27-,28-,29-,30-/m0/s1
Affinity DataKi:  50nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468458(CHEMBL4285313 | US10968163, Compound 3b)
Show SMILES COc1ccc(COC(=O)[C@H]2[C@H]([C@@H]([C@@H]2c2ccccc2)C(O)=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H24O5/c1-30-20-14-12-17(13-15-20)16-31-26(29)24-21(18-8-4-2-5-9-18)23(25(27)28)22(24)19-10-6-3-7-11-19/h2-15,21-24H,16H2,1H3,(H,27,28)/t21-,22-,23-,24-/m0/s1
Affinity DataKi:  60nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489733(US10968163, Compound 4e)
Show SMILES COc1ccccc1C1C(C(C1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1OC)C([O-])=O
Show InChI InChI=1S/C32H34O6/c1-36-24-17-9-7-15-22(24)27-29(31(33)34)28(23-16-8-10-18-25(23)37-2)30(27)32(35)38-26-19-11-6-14-21(26)20-12-4-3-5-13-20/h3-5,7-10,12-13,15-18,21,26-30H,6,11,14,19H2,1-2H3,(H,33,34)/p-1/t21-,26+,27?,28?,29?,30?/m0/s1
Affinity DataKi:  60nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468468(CHEMBL4282121 | US10968163, Compound 3t)
Show SMILES CCOCCOCCOCCn1cc(nn1)-c1cccc(OC(=O)[C@H]2[C@H]([C@@H]([C@@H]2c2ccccc2)C(O)=O)c2ccccc2)c1
Show InChI InChI=1S/C34H37N3O7/c1-2-41-18-19-43-21-20-42-17-16-37-23-28(35-36-37)26-14-9-15-27(22-26)44-34(40)32-29(24-10-5-3-6-11-24)31(33(38)39)30(32)25-12-7-4-8-13-25/h3-15,22-23,29-32H,2,16-21H2,1H3,(H,38,39)/t29-,30-,31-,32-/m0/s1
Affinity DataKi:  70nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489698(US10968163, Compound 3 | US10968163, Compound 3-A)
Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/p-1
Affinity DataKi:  70nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489733(US10968163, Compound 4e)
Show SMILES COc1ccccc1C1C(C(C1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1OC)C([O-])=O
Show InChI InChI=1S/C32H34O6/c1-36-24-17-9-7-15-22(24)27-29(31(33)34)28(23-16-8-10-18-25(23)37-2)30(27)32(35)38-26-19-11-6-14-21(26)20-12-4-3-5-13-20/h3-5,7-10,12-13,15-18,21,26-30H,6,11,14,19H2,1-2H3,(H,33,34)/p-1/t21-,26+,27?,28?,29?,30?/m0/s1
Affinity DataKi:  80nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468462(CHEMBL4287117 | US10968163, Compound 3g)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H24O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-19,25-28H,(H,31,32)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  80nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489698(US10968163, Compound 3 | US10968163, Compound 3-A)
Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/p-1
Affinity DataKi:  90nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468472(CHEMBL4281708 | US10968163, Compound 3m)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OC1Cc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C27H24O4/c28-26(29)24-22(17-9-3-1-4-10-17)25(23(24)18-11-5-2-6-12-18)27(30)31-21-15-19-13-7-8-14-20(19)16-21/h1-14,21-25H,15-16H2,(H,28,29)/t22-,23-,24-,25-/m0/s1
Affinity DataKi:  90nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468452(CHEMBL4283759 | US10968163, Compound 3e)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1I)c1ccccc1
Show InChI InChI=1S/C24H19IO4/c25-17-13-7-8-14-18(17)29-24(28)22-19(15-9-3-1-4-10-15)21(23(26)27)20(22)16-11-5-2-6-12-16/h1-14,19-22H,(H,26,27)/t19-,20-,21-,22-/m0/s1
Affinity DataKi:  100nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489700(US10968163, Compound 3-B)
Show SMILES COc1ccc(COC(=O)C2C(C(C2c2ccccc2)C([O-])=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H24O5/c1-30-20-14-12-17(13-15-20)16-31-26(29)24-21(18-8-4-2-5-9-18)23(25(27)28)22(24)19-10-6-3-7-11-19/h2-15,21-24H,16H2,1H3,(H,27,28)/p-1
Affinity DataKi:  100nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468458(CHEMBL4285313 | US10968163, Compound 3b)
Show SMILES COc1ccc(COC(=O)[C@H]2[C@H]([C@@H]([C@@H]2c2ccccc2)C(O)=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H24O5/c1-30-20-14-12-17(13-15-20)16-31-26(29)24-21(18-8-4-2-5-9-18)23(25(27)28)22(24)19-10-6-3-7-11-19/h2-15,21-24H,16H2,1H3,(H,27,28)/t21-,22-,23-,24-/m0/s1
Affinity DataKi:  100nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489726(US10968163, Compound 3s)
Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H26O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2,(H,25,26)/p-1
Affinity DataKi:  110nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489713(US10968163, Compound 3k)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(Cl)c(Cl)c1Cl)c1ccccc1
Show InChI InChI=1S/C24H17Cl3O4/c25-15-11-12-16(22(27)21(15)26)31-24(30)20-17(13-7-3-1-4-8-13)19(23(28)29)18(20)14-9-5-2-6-10-14/h1-12,17-20H,(H,28,29)/t17-,18-,19-,20-/m0/s1
Affinity DataKi:  110nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468462(CHEMBL4287117 | US10968163, Compound 3g)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H24O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-19,25-28H,(H,31,32)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  120nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489706(US10968163, Compound 3f)
Show SMILES OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H26O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2,(H,25,26)/t19-,20-,21-,22-/m1/s1
Affinity DataKi:  120nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489701(US10968163, Compound 3a)
Show SMILES OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/t20-,21-,22-,23-/m1/s1
Affinity DataKi:  120nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j)
Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O
Show InChI InChI=1S/C34H30O6/c1-38-27-17-9-7-15-24(27)29-31(33(35)36)30(25-16-8-10-18-28(25)39-2)32(29)34(37)40-19-26-22-13-5-3-11-20(22)21-12-4-6-14-23(21)26/h3-18,26,29-32H,19H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1
Affinity DataKi:  120nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489698(US10968163, Compound 3 | US10968163, Compound 3-A)
Show SMILES [O-]C(=O)C1C(C(C1c1ccccc1)C(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22O4/c26-24(27)22-20(18-12-6-2-7-13-18)23(21(22)19-14-8-3-9-15-19)25(28)29-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2,(H,26,27)/p-1
Affinity DataKi:  140nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489700(US10968163, Compound 3-B)
Show SMILES COc1ccc(COC(=O)C2C(C(C2c2ccccc2)C([O-])=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H24O5/c1-30-20-14-12-17(13-15-20)16-31-26(29)24-21(18-8-4-2-5-9-18)23(25(27)28)22(24)19-10-6-3-7-11-19/h2-15,21-24H,16H2,1H3,(H,27,28)/p-1
Affinity DataKi:  140nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489706(US10968163, Compound 3f)
Show SMILES OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)OC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C24H26O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2,(H,25,26)/t19-,20-,21-,22-/m1/s1
Affinity DataKi:  150nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468472(CHEMBL4281708 | US10968163, Compound 3m)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OC1Cc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C27H24O4/c28-26(29)24-22(17-9-3-1-4-10-17)25(23(24)18-11-5-2-6-12-18)27(30)31-21-15-19-13-7-8-14-20(19)16-21/h1-14,21-25H,15-16H2,(H,28,29)/t22-,23-,24-,25-/m0/s1
Affinity DataKi:  150nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468474(CHEMBL4293553 | US10968163, Compound 3d)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C25H21BrO4/c26-19-13-11-16(12-14-19)15-30-25(29)23-20(17-7-3-1-4-8-17)22(24(27)28)21(23)18-9-5-2-6-10-18/h1-14,20-23H,15H2,(H,27,28)/t20-,21-,22-,23-/m0/s1
Affinity DataKi:  160nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468463(CHEMBL4290535 | US10968163, Compound 3i)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(cc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H24O4/c31-29(32)27-25(22-12-6-2-7-13-22)28(26(27)23-14-8-3-9-15-23)30(33)34-24-18-16-21(17-19-24)20-10-4-1-5-11-20/h1-19,25-28H,(H,31,32)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  160nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468467(CHEMBL4285544 | US10968163, Compound 3q)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1
Show InChI InChI=1S/C32H26O4/c33-31(34)29-27(20-11-3-1-4-12-20)30(28(29)21-13-5-2-6-14-21)32(35)36-19-26-24-17-9-7-15-22(24)23-16-8-10-18-25(23)26/h1-18,26-30H,19H2,(H,33,34)/t27-,28-,29-,30-/m0/s1
Affinity DataKi:  160nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489737(US10968163, Compound 4h)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Br)C(=O)OC1CCCC[C@H]1c1ccccc1)c1ccccc1Br
Show InChI InChI=1S/C30H28Br2O4/c31-22-15-7-4-13-20(22)25-27(29(33)34)26(21-14-5-8-16-23(21)32)28(25)30(35)36-24-17-9-6-12-19(24)18-10-2-1-3-11-18/h1-5,7-8,10-11,13-16,19,24-28H,6,9,12,17H2,(H,33,34)/t19-,24?,25-,26-,27-,28-/m0/s1
Affinity DataKi:  160nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489700(US10968163, Compound 3-B)
Show SMILES COc1ccc(COC(=O)C2C(C(C2c2ccccc2)C([O-])=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H24O5/c1-30-20-14-12-17(13-15-20)16-31-26(29)24-21(18-8-4-2-5-9-18)23(25(27)28)22(24)19-10-6-3-7-11-19/h2-15,21-24H,16H2,1H3,(H,27,28)/p-1
Affinity DataKi:  160nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468436(CHEMBL4295043 | US10968163, Compound 3h)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H24O4/c31-29(32)27-25(21-13-6-2-7-14-21)28(26(27)22-15-8-3-9-16-22)30(33)34-24-18-10-17-23(19-24)20-11-4-1-5-12-20/h1-19,25-28H,(H,31,32)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  170nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468443(CHEMBL4287414 | US10968163, Compound 4b)
Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccccc1OC)C(O)=O
Show InChI InChI=1S/C30H26O6/c1-34-22-15-7-5-13-20(22)25-27(29(31)32)26(21-14-6-8-16-23(21)35-2)28(25)30(33)36-24-17-9-11-18-10-3-4-12-19(18)24/h3-17,25-28H,1-2H3,(H,31,32)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  170nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468438(CHEMBL4282959 | US10968163, Compound 3c)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C25H21FO4/c26-19-13-11-16(12-14-19)15-30-25(29)23-20(17-7-3-1-4-8-17)22(24(27)28)21(23)18-9-5-2-6-10-18/h1-14,20-23H,15H2,(H,27,28)/t20-,21-,22-,23-/m0/s1
Affinity DataKi:  180nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468475(CHEMBL4279887 | US10968163, Compound 3j)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccccc1O)c1ccccc1
Show InChI InChI=1S/C30H24O5/c31-23-17-9-7-15-21(23)22-16-8-10-18-24(22)35-30(34)28-25(19-11-3-1-4-12-19)27(29(32)33)26(28)20-13-5-2-6-14-20/h1-18,25-28,31H,(H,32,33)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  180nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM489736(US10968163, Compound 4g)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1c(Cl)cccc1Cl)C(=O)OC1CCCC[C@H]1c1ccccc1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C30H26Cl4O4/c31-18-11-6-12-19(32)23(18)25-27(29(35)36)26(24-20(33)13-7-14-21(24)34)28(25)30(37)38-22-15-5-4-10-17(22)16-8-2-1-3-9-16/h1-3,6-9,11-14,17,22,25-28H,4-5,10,15H2,(H,35,36)/t17-,22?,25-,26-,27-,28-/m0/s1
Affinity DataKi:  180nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468456(CHEMBL4278244 | US10968163, Compound 3o)
Show SMILES CC(=O)Nc1ccc2c(OC(=O)[C@H]3[C@H]([C@@H]([C@@H]3c3ccccc3)C(O)=O)c3ccccc3)cccc2c1
Show InChI InChI=1S/C30H25NO5/c1-18(32)31-22-15-16-23-21(17-22)13-8-14-24(23)36-30(35)28-25(19-9-4-2-5-10-19)27(29(33)34)26(28)20-11-6-3-7-12-20/h2-17,25-28H,1H3,(H,31,32)(H,33,34)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  180nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468456(CHEMBL4278244 | US10968163, Compound 3o)
Show SMILES CC(=O)Nc1ccc2c(OC(=O)[C@H]3[C@H]([C@@H]([C@@H]3c3ccccc3)C(O)=O)c3ccccc3)cccc2c1
Show InChI InChI=1S/C30H25NO5/c1-18(32)31-22-15-16-23-21(17-22)13-8-14-24(23)36-30(35)28-25(19-9-4-2-5-10-19)27(29(33)34)26(28)20-11-6-3-7-12-20/h2-17,25-28H,1H3,(H,31,32)(H,33,34)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  180nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468442(CHEMBL4276759 | US10968163, Compound 4a)
Show SMILES COc1cc(ccc1O)[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccc(O)c(OC)c1)C(O)=O
Show InChI InChI=1S/C30H26O8/c1-36-23-14-17(10-12-20(23)31)25-27(29(33)34)26(18-11-13-21(32)24(15-18)37-2)28(25)30(35)38-22-9-5-7-16-6-3-4-8-19(16)22/h3-15,25-28,31-32H,1-2H3,(H,33,34)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  190nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468442(CHEMBL4276759 | US10968163, Compound 4a)
Show SMILES COc1cc(ccc1O)[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccc(O)c(OC)c1)C(O)=O
Show InChI InChI=1S/C30H26O8/c1-36-23-14-17(10-12-20(23)31)25-27(29(33)34)26(18-11-13-21(32)24(15-18)37-2)28(25)30(35)38-22-9-5-7-16-6-3-4-8-19(16)22/h3-15,25-28,31-32H,1-2H3,(H,33,34)/t25-,26-,27-,28-/m0/s1
Affinity DataKi:  190nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468452(CHEMBL4283759 | US10968163, Compound 3e)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1I)c1ccccc1
Show InChI InChI=1S/C24H19IO4/c25-17-13-7-8-14-18(17)29-24(28)22-19(15-9-3-1-4-10-15)21(23(26)27)20(22)16-11-5-2-6-12-16/h1-14,19-22H,(H,26,27)/t19-,20-,21-,22-/m0/s1
Affinity DataKi:  210nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation for the State University of New York

US Patent
LigandPNGBDBM50468438(CHEMBL4282959 | US10968163, Compound 3c)
Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C25H21FO4/c26-19-13-11-16(12-14-19)15-30-25(29)23-20(17-7-3-1-4-8-17)22(24(27)28)21(23)18-9-5-2-6-10-18/h1-14,20-23H,15H2,(H,27,28)/t20-,21-,22-,23-/m0/s1
Affinity DataKi:  210nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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