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Compile Data Set for Download or QSAR

Found 496 hits of ic50 data for polymerid = 50006046,8873   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312471
PNG
(2-[5-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-3,4-dih...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2OCCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H19N3O5S/c23-15(10-3-1-4-11(10)18(24)25)21-17-13(12-5-2-8-26-19(12)28-17)16-20-14(22-27-16)9-6-7-9/h9H,1-8H2,(H,21,23)(H,24,25)
PDB

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UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312490
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,5-dim...)
Show SMILES CC1(C)CCc2sc(NC(=O)C3=C(CCC3)C(O)=O)c(-c3nc(no3)C3CC3)c2C1
Show InChI InChI=1S/C22H25N3O4S/c1-22(2)9-8-15-14(10-22)16(19-23-17(25-29-19)11-6-7-11)20(30-15)24-18(26)12-4-3-5-13(12)21(27)28/h11H,3-10H2,1-2H3,(H,24,26)(H,27,28)
PDB

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UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312314
PNG
(3-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-4,5...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N3O4S/c22-21(23,24)20-26-17(31-27-20)15-11-3-1-2-4-12(11)32-18(15)25-16(28)13-9-5-7-10(8-6-9)14(13)19(29)30/h9-10H,1-8H2,(H,25,28)(H,29,30)
PDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312344
PNG
(2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,7-dihydro-...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N2O4S2/c20-19(21,22)13-8-29-16(23-13)14-11-5-6-28-7-12(11)30-17(14)24-15(25)9-3-1-2-4-10(9)18(26)27/h8H,1-7H2,(H,24,25)(H,26,27)
PDB

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n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312350
PNG
(2-[3-(4-Cyclopropyl-thiazol-2-yl)-4,7-dihydro-5H-t...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C1CC1
Show InChI InChI=1S/C20H20N2O4S2/c23-17(11-2-1-3-12(11)20(24)25)22-19-16(13-6-7-26-8-15(13)28-19)18-21-14(9-27-18)10-4-5-10/h9-10H,1-8H2,(H,22,23)(H,24,25)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312380
PNG
(2-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-5,6...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C19H18F3N3O4S/c20-19(21,22)18-24-15(29-25-18)13-11-5-2-1-3-8-12(11)30-16(13)23-14(26)9-6-4-7-10(9)17(27)28/h1-8H2,(H,23,26)(H,27,28)
PDB

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n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312382
PNG
(3-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-5,6...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O4S/c23-22(24,25)21-27-18(32-28-21)16-12-4-2-1-3-5-13(12)33-19(16)26-17(29)14-10-6-8-11(9-7-10)15(14)20(30)31/h10-11H,1-9H2,(H,26,29)(H,30,31)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312389
PNG
(2-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-5,6...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O4S/c18-17(19,20)16-22-13(27-23-16)11-9-5-2-6-10(9)28-14(11)21-12(24)7-3-1-4-8(7)15(25)26/h1-6H2,(H,21,24)(H,25,26)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312401
PNG
(2-[6,6-Difluoro-3-(3-trifluoromethyl-[1,2,4]oxadia...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C18H14F5N3O4S/c19-17(20)5-4-9-10(6-17)31-14(11(9)13-25-16(26-30-13)18(21,22)23)24-12(27)7-2-1-3-8(7)15(28)29/h1-6H2,(H,24,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312453
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]thiadiazol-5-yl)-6,6-di...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(ns1)C1CC1
Show InChI InChI=1S/C21H21F2N3O3S2/c22-21(23)8-7-13-14(9-21)30-18(15(13)19-24-16(26-31-19)10-5-6-10)25-17(27)11-3-1-2-4-12(11)20(28)29/h10H,1-9H2,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234674
PNG
(US9353102, 3.3)
Show SMILES Cc1c(sc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(no1)C1CC1)C1CC1
Show InChI InChI=1S/C20H21N3O4S/c1-9-14(18-21-16(23-27-18)11-7-8-11)19(28-15(9)10-5-6-10)22-17(24)12-3-2-4-13(12)20(25)26/h10-11H,2-8H2,1H3,(H,22,24)(H,25,26)
PDB

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PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234681
PNG
(US9353102, 4.5)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1
Show InChI InChI=1S/C18H19N3O4S/c1-8-9(2)26-17(13(8)16-19-14(21-25-16)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
PDB

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PC sid
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US Patent
n/an/a 10n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234682
PNG
(US9353102, 5)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C(F)(F)F)c1C1CC1
Show InChI InChI=1S/C18H16F3N3O4S/c1-7-11(8-5-6-8)12(14-23-17(24-28-14)18(19,20)21)15(29-7)22-13(25)9-3-2-4-10(9)16(26)27/h8H,2-6H2,1H3,(H,22,25)(H,26,27)
PDB

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PC sid
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US Patent
n/an/a 10n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234684
PNG
(US9353102, 6.1)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sccc1-c1nc(no1)C1CC1
Show InChI InChI=1S/C16H15N3O4S/c20-13(9-2-1-3-10(9)16(21)22)18-15-11(6-7-24-15)14-17-12(19-23-14)8-4-5-8/h6-8H,1-5H2,(H,18,20)(H,21,22)
PDB

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US Patent
n/an/a 10n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312313
PNG
(2-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-4,5...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O4S/c19-18(20,21)17-23-14(28-24-17)12-10-4-1-2-7-11(10)29-15(12)22-13(25)8-5-3-6-9(8)16(26)27/h1-7H2,(H,22,25)(H,26,27)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312340
PNG
(2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,5,6,7-tetr...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2O3S2/c21-20(22,23)14-9-29-17(24-14)15-12-7-3-4-8-13(12)30-18(15)25-16(26)10-5-1-2-6-11(10)19(27)28/h9H,1-8H2,(H,25,26)(H,27,28)
PDB

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PC cid
PC sid
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US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234701
PNG
(US9353102, 4.7)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(c1C)-c1nc(ns1)C1CC1
Show InChI InChI=1S/C18H19N3O3S2/c1-8-9(2)25-16(13(8)17-19-14(21-26-17)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24)
PDB

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n/an/a 11n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312493
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-4,5,6,7...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C21H23N3O4S/c25-18(12-5-1-2-6-13(12)21(26)27)23-20-16(14-7-3-4-8-15(14)29-20)19-22-17(24-28-19)11-9-10-11/h11H,1-10H2,(H,23,25)(H,26,27)
PDB

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US Patent
n/an/a 11n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312465
PNG
(3-[3-(3-Cyclopropyl-[1,2,4]thiadiazol-5-yl)-4,5,6,...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1nc(ns1)C1CC1
Show InChI InChI=1S/C23H25N3O3S2/c27-20(16-11-5-7-12(8-6-11)17(16)23(28)29)25-21-18(14-3-1-2-4-15(14)30-21)22-24-19(26-31-22)13-9-10-13/h11-13H,1-10H2,(H,25,27)(H,28,29)
PDB

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UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312510
PNG
((R)-1-[[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-y...)
Show SMILES OC(=O)[C@H]1CCCN1C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O4S/c19-18(20,21)16-22-13(29-24-16)12-9-5-2-1-3-7-11(9)30-14(12)23-17(28)25-8-4-6-10(25)15(26)27/h10H,1-8H2,(H,23,28)(H,26,27)/t10-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312472
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-4,5,6,7...)
Show SMILES CC1(C)CC(C(O)=O)=C(C1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C22H25N3O4S/c1-22(2)9-13(14(10-22)21(27)28)18(26)24-20-16(12-5-3-4-6-15(12)30-20)19-23-17(25-29-19)11-7-8-11/h11H,3-10H2,1-2H3,(H,24,26)(H,27,28)
PDB

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n/an/a 13n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234709
PNG
(US9353102, 4.15)
Show SMILES Cc1c(sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1
Show InChI InChI=1S/C23H25N3O3S2/c1-10-15(22-24-19(26-31-22)14-8-9-14)21(30-18(10)13-6-7-13)25-20(27)16-11-2-4-12(5-3-11)17(16)23(28)29/h11-14H,2-9H2,1H3,(H,25,27)(H,28,29)
PDB

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n/an/a 13n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234707
PNG
(US9353102, 4.13)
Show SMILES Cc1c(sc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1
Show InChI InChI=1S/C20H21N3O3S2/c1-9-14(19-21-16(23-28-19)11-7-8-11)18(27-15(9)10-5-6-10)22-17(24)12-3-2-4-13(12)20(25)26/h10-11H,2-8H2,1H3,(H,22,24)(H,25,26)
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n/an/a 13n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234692
PNG
(US9353102, 6.9)
Show SMILES Cc1csc(NC(=O)C2=C(CCC2)C(O)=O)c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C17H17N3O4S/c1-8-7-25-16(12(8)15-18-13(20-24-15)9-5-6-9)19-14(21)10-3-2-4-11(10)17(22)23/h7,9H,2-6H2,1H3,(H,19,21)(H,22,23)
PDB

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n/an/a 15n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312460
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]thiadiazol-5-yl)-4,5,6,...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(ns1)C1CC1
Show InChI InChI=1S/C20H21N3O3S2/c24-17(11-5-3-6-12(11)20(25)26)22-18-15(13-4-1-2-7-14(13)27-18)19-21-16(23-28-19)10-8-9-10/h10H,1-9H2,(H,22,24)(H,25,26)
PDB

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n/an/a 16n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312500
PNG
(4-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-4,5,6,7...)
Show SMILES OC(=O)C1=C(CCOC1)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C20H21N3O5S/c24-17(11-7-8-27-9-13(11)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26)
PDB

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n/an/a 17n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312454
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-6-fluor...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(F)CCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C20H20FN3O4S/c21-10-6-7-13-14(8-10)29-19(15(13)18-22-16(24-28-18)9-4-5-9)23-17(25)11-2-1-3-12(11)20(26)27/h9-10H,1-8H2,(H,23,25)(H,26,27)
PDB

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n/an/a 18n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312473
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-6,7-dih...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCOCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H19N3O5S/c23-16(10-2-1-3-11(10)19(24)25)21-18-14(12-8-26-7-6-13(12)28-18)17-20-15(22-27-17)9-4-5-9/h9H,1-8H2,(H,21,23)(H,24,25)
PDB

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n/an/a 18n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234711
PNG
(US9353102, 4.17)
Show SMILES Cc1c(sc(NC(=O)C2=C(CCCC2)C(O)=O)c1-c1nc(ns1)C1CC1)C1CC1
Show InChI InChI=1S/C21H23N3O3S2/c1-10-15(20-22-17(24-29-20)12-8-9-12)19(28-16(10)11-6-7-11)23-18(25)13-4-2-3-5-14(13)21(26)27/h11-12H,2-9H2,1H3,(H,23,25)(H,26,27)
PDB

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n/an/a 19n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234691
PNG
(US9353102, 6.8)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1scc(C2CC2)c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H19N3O4S/c23-16(11-2-1-3-12(11)19(24)25)21-18-14(13(8-27-18)9-4-5-9)17-20-15(22-26-17)10-6-7-10/h8-10H,1-7H2,(H,21,23)(H,24,25)
PDB

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n/an/a 19.2n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312485
PNG
(2-[6,6-Difluoro-3-(4-isopropyl-thiazol-2-yl)-4,5,6...)
Show SMILES CC(C)c1csc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CC(F)(F)CCc12
Show InChI InChI=1S/C21H22F2N2O3S2/c1-10(2)14-9-29-18(24-14)16-13-6-7-21(22,23)8-15(13)30-19(16)25-17(26)11-4-3-5-12(11)20(27)28/h9-10H,3-8H2,1-2H3,(H,25,26)(H,27,28)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312320
PNG
(3-[3-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-4,5,6,7-t...)
Show SMILES CC(C)c1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12
Show InChI InChI=1S/C23H27N3O4S/c1-11(2)19-24-21(30-26-19)18-14-5-3-4-6-15(14)31-22(18)25-20(27)16-12-7-9-13(10-8-12)17(16)23(28)29/h11-13H,3-10H2,1-2H3,(H,25,27)(H,28,29)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312338
PNG
(2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,5,6,7-tetr...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCCc2c1-c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N2O3S2/c20-19(21,22)13-8-28-16(23-13)14-11-4-1-2-7-12(11)29-17(14)24-15(25)9-5-3-6-10(9)18(26)27/h8H,1-7H2,(H,24,25)(H,26,27)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312342
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-6-methy...)
Show SMILES CC1CCc2c(C1)sc(NC(=O)C1=C(CCC1)C(O)=O)c2-c1nc(no1)C1CC1
Show InChI InChI=1S/C21H23N3O4S/c1-10-5-8-14-15(9-10)29-20(16(14)19-22-17(24-28-19)11-6-7-11)23-18(25)12-3-2-4-13(12)21(26)27/h10-11H,2-9H2,1H3,(H,23,25)(H,26,27)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312343
PNG
(2-[3-(4-Trifluoromethyl-thiazol-2-yl)-4,7-dihydro-...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2COCCc2c1-c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O4S2/c19-18(20,21)12-7-28-15(22-12)13-10-4-5-27-6-11(10)29-16(13)23-14(24)8-2-1-3-9(8)17(25)26/h7H,1-6H2,(H,23,24)(H,25,26)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312346
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-6-methy...)
Show SMILES CC1CCc2c(C1)sc(NC(=O)C1=C(CCCC1)C(O)=O)c2-c1nc(no1)C1CC1
Show InChI InChI=1S/C22H25N3O4S/c1-11-6-9-15-16(10-11)30-21(17(15)20-23-18(25-29-20)12-7-8-12)24-19(26)13-4-2-3-5-14(13)22(27)28/h11-12H,2-10H2,1H3,(H,24,26)(H,27,28)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312378
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,6,7,8...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C22H25N3O4S/c26-19(13-6-4-5-7-14(13)22(27)28)24-21-17(15-8-2-1-3-9-16(15)30-21)20-23-18(25-29-20)12-10-11-12/h12H,1-11H2,(H,24,26)(H,27,28)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312379
PNG
(3-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,6,7,8...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C24H27N3O4S/c28-21(17-12-6-8-13(9-7-12)18(17)24(29)30)26-23-19(15-4-2-1-3-5-16(15)32-23)22-25-20(27-31-22)14-10-11-14/h12-14H,1-11H2,(H,26,28)(H,29,30)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312383
PNG
(2-[3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-5,6-dihydro-...)
Show SMILES Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCc12
Show InChI InChI=1S/C17H17N3O4S/c1-8-18-15(24-20-8)13-11-6-3-7-12(11)25-16(13)19-14(21)9-4-2-5-10(9)17(22)23/h2-7H2,1H3,(H,19,21)(H,22,23)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312386
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,6-dih...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H19N3O4S/c23-16(10-3-1-4-11(10)19(24)25)21-18-14(12-5-2-6-13(12)27-18)17-20-15(22-26-17)9-7-8-9/h9H,1-8H2,(H,21,23)(H,24,25)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312388
PNG
(3-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,6-dih...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C22H23N3O4S/c26-19(15-10-4-6-11(7-5-10)16(15)22(27)28)24-21-17(13-2-1-3-14(13)30-21)20-23-18(25-29-20)12-8-9-12/h10-12H,1-9H2,(H,24,26)(H,27,28)
PDB

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n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312391
PNG
(3-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-5,6...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O4S/c21-20(22,23)19-25-16(30-26-19)14-10-2-1-3-11(10)31-17(14)24-15(27)12-8-4-6-9(7-5-8)13(12)18(28)29/h8-9H,1-7H2,(H,24,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312404
PNG
(2-[6,6-Difluoro-3-(4-methyl-thiazol-2-yl)-4,5,6,7-...)
Show SMILES Cc1csc(n1)-c1c2CCC(F)(F)Cc2sc1NC(=O)C1=C(CCC1)C(O)=O
Show InChI InChI=1S/C19H18F2N2O3S2/c1-9-8-27-16(22-9)14-12-5-6-19(20,21)7-13(12)28-17(14)23-15(24)10-3-2-4-11(10)18(25)26/h8H,2-7H2,1H3,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234673
PNG
(US9353102, 3.2)
Show SMILES Cc1sc(NC(=O)C2=C(CCCC2)C(O)=O)c(c1C)-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H21N3O4S/c1-9-10(2)27-18(14(9)17-20-15(22-26-17)11-7-8-11)21-16(23)12-5-3-4-6-13(12)19(24)25/h11H,3-8H2,1-2H3,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234678
PNG
(US9353102, 4.2)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C2CC2)c1C1CC1
Show InChI InChI=1S/C20H21N3O4S/c1-9-14(10-5-6-10)15(18-21-16(23-27-18)11-7-8-11)19(28-9)22-17(24)12-3-2-4-13(12)20(25)26/h10-11H,2-8H2,1H3,(H,22,24)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234679
PNG
(US9353102, 4.3)
Show SMILES Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(-c2nc(no2)C2CC2)c1C1CC1
Show InChI InChI=1S/C23H25N3O4S/c1-10-15(11-2-3-11)18(21-24-19(26-30-21)14-8-9-14)22(31-10)25-20(27)16-12-4-6-13(7-5-12)17(16)23(28)29/h11-14H,2-9H2,1H3,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234683
PNG
(US9353102, 6)
Show SMILES Cc1cc(c(NC(=O)C2=C(CCC2)C(O)=O)s1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C17H17N3O4S/c1-8-7-12(15-18-13(20-24-15)9-5-6-9)16(25-8)19-14(21)10-3-2-4-11(10)17(22)23/h7,9H,2-6H2,1H3,(H,19,21)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM234687
PNG
(US9353102, 6.4)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C2CC2)c1C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O4S/c1-7-12(18(19,20)21)11(15-22-13(24-28-15)8-5-6-8)16(29-7)23-14(25)9-3-2-4-10(9)17(26)27/h8H,2-6H2,1H3,(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


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


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312331
PNG
(2-[3-(4-Methyl-oxazol-2-yl)-4,7-dihydro-5H-thieno[...)
Show SMILES Cc1coc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12
Show InChI InChI=1S/C18H18N2O5S/c1-9-7-25-16(19-9)14-12-5-6-24-8-13(12)26-17(14)20-15(21)10-3-2-4-11(10)18(22)23/h7H,2-6,8H2,1H3,(H,20,21)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM263035
PNG
(US9708340, 12)
Show SMILES OC(=O)[C@H]1CCN1C(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C17H15ClN2O3/c18-12-6-7-13(11-4-2-1-3-5-11)14(10-12)19-17(23)20-9-8-15(20)16(21)22/h1-7,10,15H,8-9H2,(H,19,23)(H,21,22)/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9708340 (2017)

More data for this
Ligand-Target Pair
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