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Patent code US9278918

Compile Data Set for Download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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, adipocyte


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

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US Patent
n/an/a 50n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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US Patent
n/an/a 60n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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US Patent
n/an/a 80n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 100n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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US Patent
n/an/a 140n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 140n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 150n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 290n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 330n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 520n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 750n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 810n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 890n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 950n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 1.35E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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US Patent
n/an/a 3.79E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


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

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n/an/a 4.26E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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n/an/a 6.35E+3n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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n/an/a 1.37E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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US Patent
n/an/a 1.71E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

UniProtKB/SwissProt

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US Patent
n/an/a 1.96E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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UniChem
US Patent
n/an/a 2.36E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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US Patent
n/an/a 2.83E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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US Patent
n/an/a>5.00E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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US Patent
n/an/a>5.00E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


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

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/a7.525



Hoffmann-La Roche Inc.

US Patent


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

US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%