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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'igaki' and Initial = 's'   
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 amide hydrolase 1


(Homo sapiens (Human))		BDBM50426652
PNG
(CHEMBL2326178)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2F)c1C
Show InChI InChI=1S/C19H19F2N5O2S/c1-11-12(2)28-24-17(11)23-18(27)25-5-7-26(8-6-25)19-22-16(10-29-19)14-4-3-13(20)9-15(14)21/h3-4,9-10H,5-8H2,1-2H3,(H,23,24,27)
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n/an/a 0.430n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426652
PNG
(CHEMBL2326178)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2F)c1C
Show InChI InChI=1S/C19H19F2N5O2S/c1-11-12(2)28-24-17(11)23-18(27)25-5-7-26(8-6-25)19-22-16(10-29-19)14-4-3-13(20)9-15(14)21/h3-4,9-10H,5-8H2,1-2H3,(H,23,24,27)
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n/an/a 0.460n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426651
PNG
(CHEMBL2326194)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2F)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-5-3-4-6-15(14)20/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
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n/an/a 0.670n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426650
PNG
(CHEMBL2326177)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-3-5-15(20)6-4-14/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
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n/an/a 0.710n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426651
PNG
(CHEMBL2326194)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2F)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-5-3-4-6-15(14)20/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
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n/an/a 0.75n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426648
PNG
(CHEMBL2326197)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccc(F)cc2)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-3-5-14(19)6-4-13/h3-6H,7-10H2,1-2H3,(H,20,22,26)
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n/an/a 0.800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426650
PNG
(CHEMBL2326177)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-3-5-15(20)6-4-14/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
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n/an/a 0.860n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426649
PNG
(CHEMBL2326192)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2)c1C
Show InChI InChI=1S/C19H21N5O2S/c1-13-14(2)26-22-17(13)21-18(25)23-8-10-24(11-9-23)19-20-16(12-27-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22,25)
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n/an/a 0.920n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426649
PNG
(CHEMBL2326192)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2)c1C
Show InChI InChI=1S/C19H21N5O2S/c1-13-14(2)26-22-17(13)21-18(25)23-8-10-24(11-9-23)19-20-16(12-27-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22,25)
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n/an/a 0.960n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426647
PNG
(CHEMBL2326196)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-6-8-25(9-7-24)19-21-16(11-28-19)14-4-3-5-15(20)10-14/h3-5,10-11H,6-9H2,1-2H3,(H,22,23,26)
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426645
PNG
(CHEMBL2326193)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2F)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-5-3-4-6-14(13)19/h3-6H,7-10H2,1-2H3,(H,20,22,26)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426648
PNG
(CHEMBL2326197)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccc(F)cc2)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-3-5-14(19)6-4-13/h3-6H,7-10H2,1-2H3,(H,20,22,26)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426646
PNG
(CHEMBL2326189)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2)c1C
Show InChI InChI=1S/C18H20N6O2S/c1-12-13(2)26-21-15(12)19-17(25)23-8-10-24(11-9-23)18-20-16(22-27-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,19,21,25)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426647
PNG
(CHEMBL2326196)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-6-8-25(9-7-24)19-21-16(11-28-19)14-4-3-5-15(20)10-14/h3-5,10-11H,6-9H2,1-2H3,(H,22,23,26)
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426646
PNG
(CHEMBL2326189)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2)c1C
Show InChI InChI=1S/C18H20N6O2S/c1-12-13(2)26-21-15(12)19-17(25)23-8-10-24(11-9-23)18-20-16(22-27-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,19,21,25)
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n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426644
PNG
(CHEMBL2326195)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-6-8-25(9-7-24)18-21-16(23-28-18)13-4-3-5-14(19)10-13/h3-5,10H,6-9H2,1-2H3,(H,20,22,26)
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426645
PNG
(CHEMBL2326193)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2F)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-5-3-4-6-14(13)19/h3-6H,7-10H2,1-2H3,(H,20,22,26)
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50244993
PNG
(4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...)
Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)
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n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50161957
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human wild type EGFR expressed in Sf9 cells using [gamma32P]-ATP after 10 mins by scintillation counting

ACS Med Chem Lett 4: 201-5 (2013)


Article DOI: 10.1021/ml300327z
BindingDB Entry DOI: 10.7270/Q2T1550C
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426643
PNG
(CHEMBL2326190)
Show SMILES O=C(Nc1cccnn1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C17H17N7OS/c25-16(19-14-7-4-8-18-21-14)23-9-11-24(12-10-23)17-20-15(22-26-17)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,21,25)
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n/an/a 2.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)		BDBM50549459
PNG
(CHEMBL4764916)
Show SMILES Cn1c(Cc2ccc3CCOc3c2)nc2cc(O[C@H]3CC[C@](F)(CC3)c3nnn[nH]3)ccc12 |r,wU:18.19,21.27,(33.36,-17.81,;33.83,-19.28,;32.92,-20.52,;31.38,-20.51,;30.61,-21.84,;29.07,-21.83,;28.3,-23.16,;29.06,-24.5,;28.59,-25.97,;29.84,-26.87,;31.08,-25.97,;30.61,-24.5,;31.37,-23.17,;33.82,-21.77,;35.29,-21.3,;36.62,-22.07,;37.96,-21.3,;39.29,-22.07,;40.63,-21.29,;40.63,-19.77,;41.96,-19,;43.3,-19.77,;43.29,-18.22,;43.29,-21.31,;41.96,-22.07,;44.63,-19,;44.79,-17.48,;46.3,-17.16,;47.07,-18.5,;46.03,-19.64,;37.96,-19.75,;36.62,-18.98,;35.29,-19.76,)|
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TBA

Assay Description
Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426644
PNG
(CHEMBL2326195)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-6-8-25(9-7-24)18-21-16(23-28-18)13-4-3-5-14(19)10-13/h3-5,10H,6-9H2,1-2H3,(H,20,22,26)
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n/an/a 3.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426643
PNG
(CHEMBL2326190)
Show SMILES O=C(Nc1cccnn1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C17H17N7OS/c25-16(19-14-7-4-8-18-21-14)23-9-11-24(12-10-23)17-20-15(22-26-17)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,21,25)
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n/an/a 3.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426641
PNG
(CHEMBL2326181)
Show SMILES O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C21H19N5O2S/c27-20(23-19-16-8-4-5-9-18(16)28-24-19)25-10-12-26(13-11-25)21-22-17(14-29-21)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50244993
PNG
(4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...)
Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)
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n/an/a 3.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50358430
PNG
(CHEMBL1614725)
Show SMILES CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human wild type EGFR expressed in Sf9 cells using [gamma32P]-ATP after 10 mins by scintillation counting

ACS Med Chem Lett 4: 201-5 (2013)


Article DOI: 10.1021/ml300327z
BindingDB Entry DOI: 10.7270/Q2T1550C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin)

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50426426
PNG
(CHEMBL2322329)
Show SMILES CN(C)C\C=C\C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C27H26ClF3N6O2/c1-36(2)12-4-7-24(38)32-11-14-37-13-10-22-25(37)26(34-17-33-22)35-19-8-9-23(21(28)16-19)39-20-6-3-5-18(15-20)27(29,30)31/h3-10,13,15-17H,11-12,14H2,1-2H3,(H,32,38)(H,33,34,35)/b7-4+
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human wild type EGFR expressed in Sf9 cells using [gamma32P]-ATP after 10 mins by scintillation counting

ACS Med Chem Lett 4: 201-5 (2013)


Article DOI: 10.1021/ml300327z
BindingDB Entry DOI: 10.7270/Q2T1550C
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426642
PNG
(CHEMBL459152)
Show SMILES O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C20H18N6O2S/c27-19(21-18-15-8-4-5-9-16(15)28-23-18)25-10-12-26(13-11-25)20-22-17(24-29-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,23,27)
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n/an/a 4.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426642
PNG
(CHEMBL459152)
Show SMILES O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C20H18N6O2S/c27-19(21-18-15-8-4-5-9-16(15)28-23-18)25-10-12-26(13-11-25)20-22-17(24-29-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,23,27)
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n/an/a 5.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50426641
PNG
(CHEMBL2326181)
Show SMILES O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C21H19N5O2S/c27-20(23-19-16-8-4-5-9-18(16)28-24-19)25-10-12-26(13-11-25)21-22-17(14-29-21)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50426425
PNG
(CHEMBL2322330)
Show SMILES OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(NC(=O)NC5CCCCC5)c4)c(Cl)c3)c12
Show InChI InChI=1S/C29H33ClN6O4/c30-24-18-22(33-28-27-25(31-19-32-28)11-12-36(27)13-15-39-16-14-37)9-10-26(24)40-23-8-4-7-21(17-23)35-29(38)34-20-5-2-1-3-6-20/h4,7-12,17-20,37H,1-3,5-6,13-16H2,(H,31,32,33)(H2,34,35,38)
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n/an/a 6.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human wild type EGFR expressed in Sf9 cells using [gamma32P]-ATP after 10 mins by scintillation counting

ACS Med Chem Lett 4: 201-5 (2013)


Article DOI: 10.1021/ml300327z
BindingDB Entry DOI: 10.7270/Q2T1550C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50244718
PNG
(CHEMBL460273 | JNJ-1661010 | N-phenyl-4-(3-phenyl-...)
Show SMILES O=C(Nc1ccccc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin)

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)		BDBM50549460
PNG
(CHEMBL4750346)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@](F)(CC4)c4nnn[nH]4)ccc3n2C)c1 |r,wU:13.12,16.20,(3.66,-22.89,;5.2,-22.9,;5.96,-24.24,;7.51,-24.24,;8.28,-22.91,;7.51,-21.58,;8.28,-20.25,;9.82,-20.26,;10.72,-21.51,;12.19,-21.04,;13.53,-21.81,;14.87,-21.03,;16.2,-21.8,;17.53,-21.03,;17.53,-19.5,;18.87,-18.73,;20.21,-19.5,;20.2,-17.96,;20.2,-21.05,;18.87,-21.81,;21.54,-18.74,;21.71,-17.21,;23.21,-16.9,;23.98,-18.23,;22.95,-19.37,;14.86,-19.48,;13.52,-18.72,;12.2,-19.49,;10.73,-19.01,;10.26,-17.55,;5.97,-21.57,)|
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TBA

Assay Description
Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)		BDBM50549472
PNG
(CHEMBL4746996)
Show SMILES Cn1c(Cc2ccc3CCOc3c2)nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc12 |r,wU:18.19,21.26,(59.08,-5.64,;59.55,-7.1,;58.64,-8.34,;57.1,-8.34,;56.33,-7,;57.11,-5.68,;56.35,-4.35,;54.81,-4.35,;53.79,-3.19,;52.37,-3.81,;52.52,-5.35,;54.03,-5.68,;54.8,-7.01,;59.54,-9.59,;61,-9.12,;62.34,-9.9,;63.68,-9.12,;65.01,-9.89,;66.35,-9.12,;66.35,-7.59,;67.69,-6.82,;69.02,-7.59,;69.01,-9.13,;67.69,-9.9,;70.35,-6.83,;71.69,-7.6,;70.36,-5.29,;63.67,-7.57,;62.34,-6.81,;61.01,-7.58,)|
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TBA

Assay Description
Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Mus musculus)		BDBM50549460
PNG
(CHEMBL4750346)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@](F)(CC4)c4nnn[nH]4)ccc3n2C)c1 |r,wU:13.12,16.20,(3.66,-22.89,;5.2,-22.9,;5.96,-24.24,;7.51,-24.24,;8.28,-22.91,;7.51,-21.58,;8.28,-20.25,;9.82,-20.26,;10.72,-21.51,;12.19,-21.04,;13.53,-21.81,;14.87,-21.03,;16.2,-21.8,;17.53,-21.03,;17.53,-19.5,;18.87,-18.73,;20.21,-19.5,;20.2,-17.96,;20.2,-21.05,;18.87,-21.81,;21.54,-18.74,;21.71,-17.21,;23.21,-16.9,;23.98,-18.23,;22.95,-19.37,;14.86,-19.48,;13.52,-18.72,;12.2,-19.49,;10.73,-19.01,;10.26,-17.55,;5.97,-21.57,)|
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TBA

Assay Description
Inhibition of recombinant mouse ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Mus musculus)		BDBM50549459
PNG
(CHEMBL4764916)
Show SMILES Cn1c(Cc2ccc3CCOc3c2)nc2cc(O[C@H]3CC[C@](F)(CC3)c3nnn[nH]3)ccc12 |r,wU:18.19,21.27,(33.36,-17.81,;33.83,-19.28,;32.92,-20.52,;31.38,-20.51,;30.61,-21.84,;29.07,-21.83,;28.3,-23.16,;29.06,-24.5,;28.59,-25.97,;29.84,-26.87,;31.08,-25.97,;30.61,-24.5,;31.37,-23.17,;33.82,-21.77,;35.29,-21.3,;36.62,-22.07,;37.96,-21.3,;39.29,-22.07,;40.63,-21.29,;40.63,-19.77,;41.96,-19,;43.3,-19.77,;43.29,-18.22,;43.29,-21.31,;41.96,-22.07,;44.63,-19,;44.79,-17.48,;46.3,-17.16,;47.07,-18.5,;46.03,-19.64,;37.96,-19.75,;36.62,-18.98,;35.29,-19.76,)|
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TBA

Assay Description
Inhibition of recombinant mouse ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM26740
PNG
(N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carbo...)
Show SMILES O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin)

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Mus musculus)		BDBM50549462
PNG
(CHEMBL4749130)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)c4nnn[nH]4)ccc3n2C)c1 |r,wU:13.12,16.19,(-9.5,-2.08,;-7.96,-2.09,;-7.19,-3.43,;-5.64,-3.43,;-4.88,-2.1,;-5.65,-.77,;-4.87,.56,;-3.33,.56,;-2.43,-.69,;-.96,-.22,;.38,-1,;1.72,-.22,;3.05,-.99,;4.38,-.22,;4.38,1.31,;5.72,2.08,;7.06,1.31,;7.05,-.23,;5.72,-1,;8.39,2.07,;8.55,3.6,;10.06,3.91,;10.83,2.58,;9.79,1.44,;1.71,1.33,;.37,2.09,;-.96,1.32,;-2.42,1.8,;-2.89,3.27,;-7.18,-.76,)|
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TBA

Assay Description
Inhibition of recombinant mouse ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)		BDBM50549468
PNG
(CHEMBL4787746)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)cc(Cl)c3n2C)c1 |r,wU:13.12,16.19,(26.38,-34.03,;27.92,-34.04,;28.69,-35.37,;30.23,-35.37,;31,-34.04,;30.23,-32.72,;31.01,-31.39,;32.55,-31.39,;33.45,-32.64,;34.92,-32.17,;36.25,-32.94,;37.59,-32.17,;38.93,-32.94,;40.26,-32.17,;40.26,-30.64,;41.6,-29.87,;42.93,-30.64,;42.93,-32.18,;41.6,-32.95,;44.27,-29.88,;45.6,-30.65,;44.27,-28.34,;37.59,-30.62,;36.25,-29.85,;36.24,-28.31,;34.92,-30.63,;33.46,-30.15,;32.99,-28.68,;28.7,-32.71,)|
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TBA

Assay Description
Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Mus musculus)		BDBM50549456
PNG
(CHEMBL4778736)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(5.4,-17.02,;6.94,-17.02,;7.71,-15.68,;9.25,-15.69,;10.02,-17.02,;9.24,-18.35,;10,-19.68,;11.54,-19.69,;12.44,-20.94,;13.91,-20.47,;15.25,-21.24,;16.59,-20.47,;17.92,-21.23,;19.25,-20.46,;19.25,-18.93,;20.59,-18.16,;21.93,-18.94,;21.92,-20.48,;20.59,-21.24,;23.26,-18.17,;24.59,-18.94,;23.27,-16.63,;16.58,-18.91,;15.24,-18.15,;13.92,-18.93,;12.45,-18.44,;11.98,-16.98,;7.7,-18.35,)|
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TBA

Assay Description
Inhibition of recombinant mouse ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)		BDBM50549462
PNG
(CHEMBL4749130)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)c4nnn[nH]4)ccc3n2C)c1 |r,wU:13.12,16.19,(-9.5,-2.08,;-7.96,-2.09,;-7.19,-3.43,;-5.64,-3.43,;-4.88,-2.1,;-5.65,-.77,;-4.87,.56,;-3.33,.56,;-2.43,-.69,;-.96,-.22,;.38,-1,;1.72,-.22,;3.05,-.99,;4.38,-.22,;4.38,1.31,;5.72,2.08,;7.06,1.31,;7.05,-.23,;5.72,-1,;8.39,2.07,;8.55,3.6,;10.06,3.91,;10.83,2.58,;9.79,1.44,;1.71,1.33,;.37,2.09,;-.96,1.32,;-2.42,1.8,;-2.89,3.27,;-7.18,-.76,)|
MMDB

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TBA

Assay Description
Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Mus musculus)		BDBM50549472
PNG
(CHEMBL4746996)
Show SMILES Cn1c(Cc2ccc3CCOc3c2)nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc12 |r,wU:18.19,21.26,(59.08,-5.64,;59.55,-7.1,;58.64,-8.34,;57.1,-8.34,;56.33,-7,;57.11,-5.68,;56.35,-4.35,;54.81,-4.35,;53.79,-3.19,;52.37,-3.81,;52.52,-5.35,;54.03,-5.68,;54.8,-7.01,;59.54,-9.59,;61,-9.12,;62.34,-9.9,;63.68,-9.12,;65.01,-9.89,;66.35,-9.12,;66.35,-7.59,;67.69,-6.82,;69.02,-7.59,;69.01,-9.13,;67.69,-9.9,;70.35,-6.83,;71.69,-7.6,;70.36,-5.29,;63.67,-7.57,;62.34,-6.81,;61.01,-7.58,)|
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TBA

Assay Description
Inhibition of recombinant mouse ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)		BDBM50549483
PNG
(CHEMBL4781788)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3o2)c1 |r,wU:13.12,16.19,(50.77,-5.88,;52.31,-5.88,;53.09,-4.54,;54.63,-4.55,;55.39,-5.88,;54.61,-7.21,;55.38,-8.54,;56.92,-8.55,;57.82,-9.8,;59.29,-9.33,;60.62,-10.1,;61.96,-9.33,;63.3,-10.1,;64.63,-9.32,;64.63,-7.79,;65.97,-7.03,;67.3,-7.8,;67.3,-9.34,;65.97,-10.1,;68.64,-7.03,;69.97,-7.8,;68.64,-5.49,;61.96,-7.77,;60.62,-7.01,;59.29,-7.79,;57.83,-7.31,;53.08,-7.21,)|
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TBA

Assay Description
Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)		BDBM50549456
PNG
(CHEMBL4778736)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(5.4,-17.02,;6.94,-17.02,;7.71,-15.68,;9.25,-15.69,;10.02,-17.02,;9.24,-18.35,;10,-19.68,;11.54,-19.69,;12.44,-20.94,;13.91,-20.47,;15.25,-21.24,;16.59,-20.47,;17.92,-21.23,;19.25,-20.46,;19.25,-18.93,;20.59,-18.16,;21.93,-18.94,;21.92,-20.48,;20.59,-21.24,;23.26,-18.17,;24.59,-18.94,;23.27,-16.63,;16.58,-18.91,;15.24,-18.15,;13.92,-18.93,;12.45,-18.44,;11.98,-16.98,;7.7,-18.35,)|
MMDB

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Assay Description
Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426639
PNG
(CHEMBL2326184)
Show SMILES O=C(Nc1noc2ccccc12)N1CCC(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H20N4O2S/c27-22(24-20-17-8-4-5-9-19(17)28-25-20)26-12-10-16(11-13-26)21-23-18(14-29-21)15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,24,25,27)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)		BDBM50549465
PNG
(CHEMBL4797544)
Show SMILES Cc1cccc(Cc2nc3nc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(27.14,-46.16,;28.68,-46.17,;29.44,-47.51,;30.99,-47.51,;31.76,-46.18,;30.99,-44.85,;31.76,-43.52,;33.3,-43.53,;34.2,-44.78,;35.67,-44.31,;37.01,-45.08,;38.35,-44.31,;39.68,-45.07,;41.02,-44.3,;41.01,-42.77,;42.35,-42,;43.69,-42.78,;43.68,-44.32,;42.35,-45.08,;45.02,-42.01,;46.36,-42.78,;45.03,-40.47,;38.34,-42.75,;37,-41.99,;35.68,-42.76,;34.21,-42.28,;33.74,-40.82,;29.45,-44.84,)|
MMDB

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TBA

Assay Description
Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)		BDBM50549482
PNG
(CHEMBL4755109)
Show SMILES Cc1n(Cc2cccc(C)c2)nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc12 |r,wU:16.16,19.23,(34.98,-18.19,;35.45,-19.66,;34.54,-20.97,;33,-20.9,;32.24,-19.56,;33.02,-18.24,;32.25,-16.9,;30.71,-16.9,;29.94,-18.23,;28.4,-18.23,;30.71,-19.56,;35.44,-22.15,;36.91,-21.68,;38.25,-22.45,;39.59,-21.68,;40.92,-22.45,;42.25,-21.68,;42.25,-20.15,;43.59,-19.38,;44.92,-20.15,;44.92,-21.69,;43.59,-22.46,;46.26,-19.38,;47.59,-20.16,;46.26,-17.84,;39.58,-20.13,;38.24,-19.36,;36.92,-20.14,)|
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Assay Description
Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127722
BindingDB Entry DOI: 10.7270/Q2VT1WQ6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50426640
PNG
(CHEMBL2326179)
Show SMILES CN(C)C(=O)Oc1noc2ccc(Cl)cc12
Show InChI InChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-5-6(11)3-4-8(7)16-12-9/h3-5H,1-2H3
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting

Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
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