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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'fraiponts' and Initial = 'e'   
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 synthase


(Homo sapiens (Human))		BDBM50273805
PNG
(CHEMBL4127623)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3cccnc3c2)C1 |r,c:18|
Show InChI InChI=1S/C29H28N4O2/c34-27(23-8-9-23)32-15-11-19(17-32)18-33-26(31-29(12-13-29)28(33)35)22-6-3-20(4-7-22)24-10-5-21-2-1-14-30-25(21)16-24/h1-7,10,14,16,19,23H,8-9,11-13,15,17-18H2/t19-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273870
PNG
(CHEMBL4126247)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3cnccc3c2)C1 |r,c:18|
Show InChI InChI=1S/C29H28N4O2/c34-27(22-5-6-22)32-14-10-19(17-32)18-33-26(31-29(11-12-29)28(33)35)21-3-1-20(2-4-21)23-7-8-25-16-30-13-9-24(25)15-23/h1-4,7-9,13,15-16,19,22H,5-6,10-12,14,17-18H2/t19-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273886
PNG
(CHEMBL4129012)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC3(CC3)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1 |r,t:16|
Show InChI InChI=1S/C28H28FN5O2/c1-32-24-7-5-19(12-21(24)14-30-32)20-4-6-22(23(29)13-20)25-31-28(9-10-28)27(36)34(25)16-17-8-11-33(15-17)26(35)18-2-3-18/h4-7,12-14,17-18H,2-3,8-11,15-16H2,1H3/t17-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273809
PNG
(CHEMBL4127804)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc(cc2)-c2ccncc2)C1 |r,c:18|
Show InChI InChI=1S/C31H30N4O2/c36-29(27-9-10-27)34-18-13-21(19-34)20-35-28(33-31(14-15-31)30(35)37)26-7-5-23(6-8-26)22-1-3-24(4-2-22)25-11-16-32-17-12-25/h1-8,11-12,16-17,21,27H,9-10,13-15,18-20H2/t21-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273869
PNG
(CHEMBL4127964)
Show SMILES Fc1ccc2cc(ccc2c1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:20|
Show InChI InChI=1S/C30H28FN3O2/c31-26-10-9-24-15-23(7-8-25(24)16-26)20-1-3-21(4-2-20)27-32-30(12-13-30)29(36)34(27)18-19-11-14-33(17-19)28(35)22-5-6-22/h1-4,7-10,15-16,19,22H,5-6,11-14,17-18H2/t19-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273812
PNG
(CHEMBL4125752)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21|
Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273831
PNG
(CHEMBL4128143)
Show SMILES CC1(CC1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:19|
Show InChI InChI=1S/C29H29N3O3/c1-28(10-11-28)26(33)31-14-8-19(17-31)18-32-25(30-29(12-13-29)27(32)34)21-4-2-20(3-5-21)22-6-7-24-23(16-22)9-15-35-24/h2-7,9,15-16,19H,8,10-14,17-18H2,1H3/t19-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273900
PNG
(CHEMBL4128261)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C28H29N5O2/c1-31-24-9-8-22(14-23(24)15-29-31)19-2-4-20(5-3-19)25-30-28(11-12-28)27(35)33(25)17-18-10-13-32(16-18)26(34)21-6-7-21/h2-5,8-9,14-15,18,21H,6-7,10-13,16-17H2,1H3/t18-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273872
PNG
(CHEMBL4129575)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3[nH]ncc3c2)C1 |r,c:18|
Show InChI InChI=1S/C27H27N5O2/c33-25(20-5-6-20)31-12-9-17(15-31)16-32-24(29-27(10-11-27)26(32)34)19-3-1-18(2-4-19)21-7-8-23-22(13-21)14-28-30-23/h1-4,7-8,13-14,17,20H,5-6,9-12,15-16H2,(H,28,30)/t17-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273901
PNG
(CHEMBL4129431)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2cccc3[nH]ncc23)C1 |r,c:18|
Show InChI InChI=1S/C27H27N5O2/c33-25(20-8-9-20)31-13-10-17(15-31)16-32-24(29-27(11-12-27)26(32)34)19-6-4-18(5-7-19)21-2-1-3-23-22(21)14-28-30-23/h1-7,14,17,20H,8-13,15-16H2,(H,28,30)/t17-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273843
PNG
(CHEMBL4126768)
Show SMILES OC1(CC1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:19|
Show InChI InChI=1S/C28H27N3O4/c32-25-27(9-10-27)29-24(31(25)17-18-7-13-30(16-18)26(33)28(34)11-12-28)20-3-1-19(2-4-20)21-5-6-23-22(15-21)8-14-35-23/h1-6,8,14-15,18,34H,7,9-13,16-17H2/t18-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273846
PNG
(CHEMBL4126984)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2c[nH]c3ccccc23)C1 |r,c:18|
Show InChI InChI=1S/C28H28N4O2/c33-26(21-9-10-21)31-14-11-18(16-31)17-32-25(30-28(12-13-28)27(32)34)20-7-5-19(6-8-20)23-15-29-24-4-2-1-3-22(23)24/h1-8,15,18,21,29H,9-14,16-17H2/t18-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273871
PNG
(CHEMBL4126126)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3scnc3c2)C1 |r,c:18|
Show InChI InChI=1S/C27H26N4O2S/c32-25(20-5-6-20)30-12-9-17(14-30)15-31-24(29-27(10-11-27)26(31)33)19-3-1-18(2-4-19)21-7-8-23-22(13-21)28-16-34-23/h1-4,7-8,13,16-17,20H,5-6,9-12,14-15H2/t17-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273797
PNG
(CHEMBL4126304)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:18|
Show InChI InChI=1S/C28H27N3O3/c32-26(21-5-6-21)30-13-9-18(16-30)17-31-25(29-28(11-12-28)27(31)33)20-3-1-19(2-4-20)22-7-8-24-23(15-22)10-14-34-24/h1-4,7-8,10,14-15,18,21H,5-6,9,11-13,16-17H2/t18-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273798
PNG
(CHEMBL4129046)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:15|
Show InChI InChI=1S/C26H26ClN3O2/c27-22-3-1-2-21(14-22)18-4-6-19(7-5-18)23-28-26(11-12-26)25(32)30(23)16-17-10-13-29(15-17)24(31)20-8-9-20/h1-7,14,17,20H,8-13,15-16H2/t17-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273807
PNG
(CHEMBL4127608)
Show SMILES Cc1cc(ccc1C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)-c1ccc2n(C)ncc2c1 |r,t:8|
Show InChI InChI=1S/C29H31N5O2/c1-18-13-21(22-6-8-25-23(14-22)15-30-32(25)2)5-7-24(18)26-31-29(10-11-29)28(36)34(26)17-19-9-12-33(16-19)27(35)20-3-4-20/h5-8,13-15,19-20H,3-4,9-12,16-17H2,1-2H3/t19-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273812
PNG
(CHEMBL4125752)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21|
Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human FASN KR-domain after 20 mins in presence of NADPH

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273892
PNG
(CHEMBL4127027)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1CC1CN(C1)C(=O)C1CC1 |t:19|
Show InChI InChI=1S/C27H27N5O2/c1-30-23-9-8-21(12-22(23)13-28-30)18-2-4-19(5-3-18)24-29-27(10-11-27)26(34)32(24)16-17-14-31(15-17)25(33)20-6-7-20/h2-5,8-9,12-13,17,20H,6-7,10-11,14-16H2,1H3
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n/an/a 69n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273836
PNG
(CHEMBL4129242)
Show SMILES O=C([C@@H]1CCCO1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:20|
Show InChI InChI=1S/C29H29N3O4/c33-27(25-2-1-14-35-25)31-13-9-19(17-31)18-32-26(30-29(11-12-29)28(32)34)21-5-3-20(4-6-21)22-7-8-24-23(16-22)10-15-36-24/h3-8,10,15-16,19,25H,1-2,9,11-14,17-18H2/t19-,25+/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273890
PNG
(CHEMBL4129240)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CCCC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C30H33N5O2/c1-33-26-11-10-24(16-25(26)17-31-33)21-4-6-22(7-5-21)27-32-30(13-2-3-14-30)29(37)35(27)19-20-12-15-34(18-20)28(36)23-8-9-23/h4-7,10-11,16-17,20,23H,2-3,8-9,12-15,18-19H2,1H3/t20-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273772
PNG
(CHEMBL4126572)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2cnc3ccccc3c2)C1 |r,c:18|
Show InChI InChI=1S/C29H28N4O2/c34-27(22-9-10-22)32-14-11-19(17-32)18-33-26(31-29(12-13-29)28(33)35)21-7-5-20(6-8-21)24-15-23-3-1-2-4-25(23)30-16-24/h1-8,15-16,19,22H,9-14,17-18H2/t19-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273885
PNG
(CHEMBL4128043)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1F)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:20|
Show InChI InChI=1S/C28H28FN5O2/c1-32-24-7-5-19(12-21(24)14-30-32)22-6-4-20(13-23(22)29)25-31-28(9-10-28)27(36)34(25)16-17-8-11-33(15-17)26(35)18-2-3-18/h4-7,12-14,17-18H,2-3,8-11,15-16H2,1H3/t17-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM268608
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC(C)(C)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C28H31N5O2/c1-28(2)27(35)33(17-18-12-13-32(16-18)26(34)21-8-9-21)25(30-28)20-6-4-19(5-7-20)22-10-11-24-23(14-22)15-29-31(24)3/h4-7,10-11,14-15,18,21H,8-9,12-13,16-17H2,1-3H3/t18-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM268883
PNG
((4RS)-1-(((R)-1-(cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC(C)(C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)c1ccccc1 |r,t:19|
Show InChI InChI=1S/C33H33N5O2/c1-33(28-6-4-3-5-7-28)32(40)38(21-22-16-17-37(20-22)31(39)25-12-13-25)30(35-33)24-10-8-23(9-11-24)26-14-15-29-27(18-26)19-34-36(29)2/h3-11,14-15,18-19,22,25H,12-13,16-17,20-21H2,1-2H3/t22-,33?/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273868
PNG
(CHEMBL4129199)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3ncccc3c2)C1 |r,c:18|
Show InChI InChI=1S/C29H28N4O2/c34-27(22-7-8-22)32-15-11-19(17-32)18-33-26(31-29(12-13-29)28(33)35)21-5-3-20(4-6-21)23-9-10-25-24(16-23)2-1-14-30-25/h1-6,9-10,14,16,19,22H,7-8,11-13,15,17-18H2/t19-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273842
PNG
(CHEMBL4126910)
Show SMILES FC(F)(F)CC(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:19|
Show InChI InChI=1S/C27H24F3N3O3/c28-27(29,30)14-23(34)32-11-7-17(15-32)16-33-24(31-26(9-10-26)25(33)35)19-3-1-18(2-4-19)20-5-6-22-21(13-20)8-12-36-22/h1-6,8,12-13,17H,7,9-11,14-16H2/t17-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273888
PNG
(CHEMBL4129812)
Show SMILES CC(=O)N1CCC2(CC1)N=C(N(C[C@@H]1CCN(C1)C(=O)C1CC1)C2=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:10|
Show InChI InChI=1S/C32H36N6O3/c1-21(39)36-15-12-32(13-16-36)31(41)38(20-22-11-14-37(19-22)30(40)25-7-8-25)29(34-32)24-5-3-23(4-6-24)26-9-10-28-27(17-26)18-33-35(28)2/h3-6,9-10,17-18,22,25H,7-8,11-16,19-20H2,1-2H3/t22-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273893
PNG
(CHEMBL4130300)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@H]1CCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C28H29N5O2/c1-31-24-9-8-22(14-23(24)15-29-31)19-2-4-20(5-3-19)25-30-28(11-12-28)27(35)33(25)17-18-10-13-32(16-18)26(34)21-6-7-21/h2-5,8-9,14-15,18,21H,6-7,10-13,16-17H2,1H3/t18-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273832
PNG
(CHEMBL4126662)
Show SMILES Cc1cc(ccc1-c1ccc2n(C)ncc2c1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:20|
Show InChI InChI=1S/C29H31N5O2/c1-18-13-22(5-7-24(18)21-6-8-25-23(14-21)15-30-32(25)2)26-31-29(10-11-29)28(36)34(26)17-19-9-12-33(16-19)27(35)20-3-4-20/h5-8,13-15,19-20H,3-4,9-12,16-17H2,1-2H3/t19-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273796
PNG
(CHEMBL4125929)
Show SMILES O=C([C@H]1CCCO1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:20|
Show InChI InChI=1S/C29H29N3O4/c33-27(25-2-1-14-35-25)31-13-9-19(17-31)18-32-26(30-29(11-12-29)28(32)34)21-5-3-20(4-6-21)22-7-8-24-23(16-22)10-15-36-24/h3-8,10,15-16,19,25H,1-2,9,11-14,17-18H2/t19-,25-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273889
PNG
(CHEMBL4126387)
Show SMILES COC(=O)N1CC2(C1)N=C(N(C[C@@H]1CCN(C1)C(=O)C1CC1)C2=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:9|
Show InChI InChI=1S/C30H32N6O4/c1-33-25-10-9-23(13-24(25)14-31-33)20-3-5-21(6-4-20)26-32-30(17-35(18-30)29(39)40-2)28(38)36(26)16-19-11-12-34(15-19)27(37)22-7-8-22/h3-6,9-10,13-14,19,22H,7-8,11-12,15-18H2,1-2H3/t19-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273845
PNG
(CHEMBL4130264)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2n[nH]c3ccccc23)C1 |r,c:18|
Show InChI InChI=1S/C27H27N5O2/c33-25(20-9-10-20)31-14-11-17(15-31)16-32-24(28-27(12-13-27)26(32)34)19-7-5-18(6-8-19)23-21-3-1-2-4-22(21)29-30-23/h1-8,17,20H,9-16H2,(H,29,30)/t17-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273835
PNG
(CHEMBL4127999)
Show SMILES Cn1ccc(n1)C(=O)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1 |r,c:21|
Show InChI InChI=1S/C29H27N5O3/c1-32-13-9-24(31-32)27(35)33-14-8-19(17-33)18-34-26(30-29(11-12-29)28(34)36)21-4-2-20(3-5-21)22-6-7-25-23(16-22)10-15-37-25/h2-7,9-10,13,15-16,19H,8,11-12,14,17-18H2,1H3/t19-/m1/s1
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Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273887
PNG
(CHEMBL4128858)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CCOCC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C30H33N5O3/c1-33-26-9-8-24(16-25(26)17-31-33)21-2-4-22(5-3-21)27-32-30(11-14-38-15-12-30)29(37)35(27)19-20-10-13-34(18-20)28(36)23-6-7-23/h2-5,8-9,16-17,20,23H,6-7,10-15,18-19H2,1H3/t20-/m1/s1
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n/an/a 460n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273775
PNG
(CHEMBL4127363)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cn1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C27H28N6O2/c1-31-23-7-5-19(12-21(23)14-29-31)22-6-4-20(13-28-22)24-30-27(9-10-27)26(35)33(24)16-17-8-11-32(15-17)25(34)18-2-3-18/h4-7,12-14,17-18H,2-3,8-11,15-16H2,1H3/t17-/m1/s1
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n/an/a 460n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM269265
PNG
((4RS)-1-(((R)-1-(Cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES COCC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:5|
Show InChI InChI=1S/C29H33N5O3/c1-29(18-37-3)28(36)34(17-19-12-13-33(16-19)27(35)22-8-9-22)26(31-29)21-6-4-20(5-7-21)23-10-11-25-24(14-23)15-30-32(25)2/h4-7,10-11,14-15,19,22H,8-9,12-13,16-18H2,1-3H3/t19-,29?/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273808
PNG
(CHEMBL4130221)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CCOC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C29H31N5O3/c1-32-25-9-8-23(14-24(25)15-30-32)20-2-4-21(5-3-20)26-31-29(11-13-37-18-29)28(36)34(26)17-19-10-12-33(16-19)27(35)22-6-7-22/h2-5,8-9,14-15,19,22H,6-7,10-13,16-18H2,1H3/t19-,29?/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273844
PNG
(CHEMBL4127681)
Show SMILES O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2nc3ccccc3[nH]2)C1 |r,c:18|
Show InChI InChI=1S/C27H27N5O2/c33-25(20-9-10-20)31-14-11-17(15-31)16-32-24(30-27(12-13-27)26(32)34)19-7-5-18(6-8-19)23-28-21-3-1-2-4-22(21)29-23/h1-8,17,20H,9-16H2,(H,28,29)/t17-/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273690
PNG
(CHEMBL4130174)
Show SMILES O=C(N1CC[C@@H](CN2C(=O)C3(CC3)N=C2c2ccc(cc2)-c2ccc3occc3c2)C1)C1(CC1)C#N |r,c:14|
Show InChI InChI=1S/C29H26N4O3/c30-18-28(9-10-28)26(34)32-13-7-19(16-32)17-33-25(31-29(11-12-29)27(33)35)21-3-1-20(2-4-21)22-5-6-24-23(15-22)8-14-36-24/h1-6,8,14-15,19H,7,9-13,16-17H2/t19-/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273810
PNG
(CHEMBL4125982)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(nc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C27H28N6O2/c1-31-23-7-5-19(12-21(23)14-29-31)20-4-6-22(28-13-20)24-30-27(9-10-27)26(35)33(24)16-17-8-11-32(15-17)25(34)18-2-3-18/h4-7,12-14,17-18H,2-3,8-11,15-16H2,1H3/t17-/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273833
PNG
(CHEMBL4126535)
Show SMILES CC(C)N1CCC2(CC1)N=C(N(C[C@@H]1CCN(C1)C(=O)C1CC1)C2=O)c1ccc(cc1)-c1ccc2n(C)ncc2c1 |r,c:10|
Show InChI InChI=1S/C33H40N6O2/c1-22(2)37-16-13-33(14-17-37)32(41)39(21-23-12-15-38(20-23)31(40)26-8-9-26)30(35-33)25-6-4-24(5-7-25)27-10-11-29-28(18-27)19-34-36(29)3/h4-7,10-11,18-19,22-23,26H,8-9,12-17,20-21H2,1-3H3/t23-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273891
PNG
(CHEMBL4129083)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1CC1CCN(CC1)C(=O)C1CC1 |t:19|
Show InChI InChI=1S/C29H31N5O2/c1-32-25-9-8-23(16-24(25)17-30-32)20-2-4-21(5-3-20)26-31-29(12-13-29)28(36)34(26)18-19-10-14-33(15-11-19)27(35)22-6-7-22/h2-5,8-9,16-17,19,22H,6-7,10-15,18H2,1H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50273812
PNG
(CHEMBL4125752)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21|
Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273834
PNG
(CHEMBL4125794)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@H]1CCCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C29H31N5O2/c1-32-25-11-10-23(15-24(25)16-30-32)20-4-6-21(7-5-20)26-31-29(12-13-29)28(36)34(26)18-19-3-2-14-33(17-19)27(35)22-8-9-22/h4-7,10-11,15-16,19,22H,2-3,8-9,12-14,17-18H2,1H3/t19-/m0/s1
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n/an/a 8.51E+3n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273884
PNG
(CHEMBL4127223)
Show SMILES Cn1ncc2cc(ccc12)-c1ncc(cn1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C26H27N7O2/c1-31-21-5-4-18(10-19(21)13-29-31)22-27-11-20(12-28-22)23-30-26(7-8-26)25(35)33(23)15-16-6-9-32(14-16)24(34)17-2-3-17/h4-5,10-13,16-17H,2-3,6-9,14-15H2,1H3/t16-/m1/s1
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n/an/a 8.71E+3n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273806
PNG
(CHEMBL4128202)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(s1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:18|
Show InChI InChI=1S/C26H27N5O2S/c1-29-20-5-4-18(12-19(20)13-27-29)21-6-7-22(34-21)23-28-26(9-10-26)25(33)31(23)15-16-8-11-30(14-16)24(32)17-2-3-17/h4-7,12-13,16-17H,2-3,8-11,14-15H2,1H3/t16-/m1/s1
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n/an/a 8.91E+3n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50273812
PNG
(CHEMBL4125752)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21|
Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50273812
PNG
(CHEMBL4125752)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21|
Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50273812
PNG
(CHEMBL4125752)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21|
Show InChI InChI=1S/C30H31N5O2/c1-33-19-26(16-31-33)23-4-2-21(3-5-23)22-6-8-24(9-7-22)27-32-30(13-14-30)29(37)35(27)18-20-12-15-34(17-20)28(36)25-10-11-25/h2-9,16,19-20,25H,10-15,17-18H2,1H3/t20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition human CYP1A2

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))		BDBM50273811
PNG
(CHEMBL4127845)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCCN(C1)C(=O)C1CC1 |r,t:19|
Show InChI InChI=1S/C29H31N5O2/c1-32-25-11-10-23(15-24(25)16-30-32)20-4-6-21(7-5-20)26-31-29(12-13-29)28(36)34(26)18-19-3-2-14-33(17-19)27(35)22-8-9-22/h4-7,10-11,15-16,19,22H,2-3,8-9,12-14,17-18H2,1H3/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity ass...

Bioorg Med Chem Lett 28: 2159-2164 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.014
BindingDB Entry DOI: 10.7270/Q2FB55FW
More data for this
Ligand-Target Pair
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