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PubMed code 20004097

Compile data set for download or QSAR
Found 36 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
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305768
PNG
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
Show SMILES Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305767
PNG
((5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-y...)
Show SMILES OCc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O3/c20-19(21,22)13-3-1-2-4-15(13)29-12-7-9-27(10-8-12)16-6-5-14(23-24-16)18-26-25-17(11-28)30-18/h1-6,12,28H,7-11H2
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n/an/a 2.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305773
PNG
((5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-y...)
Show SMILES OCc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O2S/c20-19(21,22)13-3-1-2-4-15(13)29-12-7-9-27(10-8-12)16-6-5-14(23-24-16)18-26-25-17(11-28)30-18/h1-6,12,28H,7-11H2
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n/an/a 3.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305764
PNG
(2-isopropyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)pi...)
Show SMILES CC(C)c1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O2/c1-13(2)19-27-28-20(31-19)16-7-8-18(26-25-16)29-11-9-14(10-12-29)30-17-6-4-3-5-15(17)21(22,23)24/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 3.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305750
PNG
(3-(4-(2-ethylphenoxy)piperidin-1-yl)-6-(1H-imidazo...)
Show SMILES CCc1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C20H23N5O/c1-2-16-5-3-4-6-18(16)26-17-9-12-24(13-10-17)19-7-8-20(23-22-19)25-14-11-21-15-25/h3-8,11,14-15,17H,2,9-10,12-13H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305760
PNG
(3-(1H-imidazol-1-yl)-6-(4-(2-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-4-16(15)28-14-7-10-26(11-8-14)17-5-6-18(25-24-17)27-12-9-23-13-27/h1-6,9,12-14H,7-8,10-11H2
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305758
PNG
(3-(4-(2-bromophenoxy)piperidin-1-yl)-6-(1H-imidazo...)
Show SMILES Brc1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C18H18BrN5O/c19-15-3-1-2-4-16(15)25-14-7-10-23(11-8-14)17-5-6-18(22-21-17)24-12-9-20-13-24/h1-6,9,12-14H,7-8,10-11H2
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n/an/a 5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305774
PNG
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
Show SMILES Cc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O2/c1-12-23-26-18(28-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)29-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305772
PNG
(5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-c1n[nH]c(=O)s1
Show InChI InChI=1S/C18H16F3N5O2S/c19-18(20,21)12-3-1-2-4-14(12)28-11-7-9-26(10-8-11)15-6-5-13(22-23-15)16-24-25-17(27)29-16/h1-6,11H,7-10H2,(H,25,27)
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n/an/a 6.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305769
PNG
(2-isopropyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)pi...)
Show SMILES CC(C)c1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H22F3N5OS/c1-13(2)19-27-28-20(31-19)16-7-8-18(26-25-16)29-11-9-14(10-12-29)30-17-6-4-3-5-15(17)21(22,23)24/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 8.80n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305752
PNG
(3-(4-(2,3-dihydro-1H-inden-4-yloxy)piperidin-1-yl)...)
Show SMILES C1Cc2cccc(OC3CCN(CC3)c3ccc(nn3)-n3ccnc3)c2C1
Show InChI InChI=1S/C21H23N5O/c1-3-16-4-2-6-19(18(16)5-1)27-17-9-12-25(13-10-17)20-7-8-21(24-23-20)26-14-11-22-15-26/h2,4,6-8,11,14-15,17H,1,3,5,9-10,12-13H2
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n/an/a 10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305743
PNG
(CHEMBL595386 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1
Show InChI InChI=1S/C22H25F3N4O2/c23-22(24,25)17-3-1-2-4-19(17)31-16-10-13-29(14-11-16)20-8-7-18(27-28-20)21(30)26-12-9-15-5-6-15/h1-4,7-8,15-16H,5-6,9-14H2,(H,26,30)
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n/an/a 14n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305765
PNG
(2-isobutyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)pip...)
Show SMILES CC(C)Cc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O2/c1-14(2)13-20-28-29-21(32-20)17-7-8-19(27-26-17)30-11-9-15(10-12-30)31-18-6-4-3-5-16(18)22(23,24)25/h3-8,14-15H,9-13H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305744
PNG
(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)py...)
Show SMILES NC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H17F3N4O2/c18-17(19,20)12-3-1-2-4-14(12)26-11-7-9-24(10-8-11)15-6-5-13(16(21)25)22-23-15/h1-6,11H,7-10H2,(H2,21,25)
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n/an/a 16n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305761
PNG
(3-(1H-imidazol-1-yl)-6-(4-(3-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1cccc(OC2CCN(CC2)c2ccc(nn2)-n2ccnc2)c1
Show InChI InChI=1S/C19H18F3N5O/c20-19(21,22)14-2-1-3-16(12-14)28-15-6-9-26(10-7-15)17-4-5-18(25-24-17)27-11-8-23-13-27/h1-5,8,11-13,15H,6-7,9-10H2
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n/an/a 19n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305763
PNG
(2-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-c1nnco1
Show InChI InChI=1S/C18H16F3N5O2/c19-18(20,21)13-3-1-2-4-15(13)28-12-7-9-26(10-8-12)16-6-5-14(23-24-16)17-25-22-11-27-17/h1-6,11-12H,7-10H2
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n/an/a 22n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305759
PNG
(3-(4-(3-bromophenoxy)piperidin-1-yl)-6-(1H-imidazo...)
Show SMILES Brc1cccc(OC2CCN(CC2)c2ccc(nn2)-n2ccnc2)c1
Show InChI InChI=1S/C18H18BrN5O/c19-14-2-1-3-16(12-14)25-15-6-9-23(10-7-15)17-4-5-18(22-21-17)24-11-8-20-13-24/h1-5,8,11-13,15H,6-7,9-10H2
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n/an/a 23n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305757
PNG
(1-(2-(1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)piperi...)
Show SMILES CC(=O)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C20H21N5O2/c1-15(26)17-4-2-3-5-18(17)27-16-8-11-24(12-9-16)19-6-7-20(23-22-19)25-13-10-21-14-25/h2-7,10,13-14,16H,8-9,11-12H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305770
PNG
(2-isobutyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)pip...)
Show SMILES CC(C)Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3N5OS/c1-14(2)13-20-28-29-21(32-20)17-7-8-19(27-26-17)30-11-9-15(10-12-30)31-18-6-4-3-5-16(18)22(23,24)25/h3-8,14-15H,9-13H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305751
PNG
(3-(4-(3-ethylphenoxy)piperidin-1-yl)-6-(1H-imidazo...)
Show SMILES CCc1cccc(OC2CCN(CC2)c2ccc(nn2)-n2ccnc2)c1
Show InChI InChI=1S/C20H23N5O/c1-2-16-4-3-5-18(14-16)26-17-8-11-24(12-9-17)19-6-7-20(23-22-19)25-13-10-21-15-25/h3-7,10,13-15,17H,2,8-9,11-12H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305747
PNG
(3-(1H-imidazol-1-yl)-6-(4-(o-tolyloxy)piperidin-1-...)
Show SMILES Cc1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H21N5O/c1-15-4-2-3-5-17(15)25-16-8-11-23(12-9-16)18-6-7-19(22-21-18)24-13-10-20-14-24/h2-7,10,13-14,16H,8-9,11-12H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305753
PNG
(3-(4-(2,3-dihydro-1H-inden-5-yloxy)piperidin-1-yl)...)
Show SMILES C1Cc2ccc(OC3CCN(CC3)c3ccc(nn3)-n3ccnc3)cc2C1
Show InChI InChI=1S/C21H23N5O/c1-2-16-4-5-19(14-17(16)3-1)27-18-8-11-25(12-9-18)20-6-7-21(24-23-20)26-13-10-22-15-26/h4-7,10,13-15,18H,1-3,8-9,11-12H2
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n/an/a 62n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305754
PNG
(4-(1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)piperidin...)
Show SMILES C1C=NC2C=CC=C(OC3CCN(CC3)c3ccc(nn3)-n3ccnc3)C12 |c:1,4,t:6|
Show InChI InChI=1S/C20H22N6O/c1-2-17-16(6-9-22-17)18(3-1)27-15-7-11-25(12-8-15)19-4-5-20(24-23-19)26-13-10-21-14-26/h1-5,9-10,13-17H,6-8,11-12H2
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n/an/a 162n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305756
PNG
(2-(1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)piperidin...)
Show SMILES N#Cc1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H18N6O/c20-13-15-3-1-2-4-17(15)26-16-7-10-24(11-8-16)18-5-6-19(23-22-18)25-12-9-21-14-25/h1-6,9,12,14,16H,7-8,10-11H2
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n/an/a 236n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305748
PNG
(3-(1H-imidazol-1-yl)-6-(4-(m-tolyloxy)piperidin-1-...)
Show SMILES Cc1cccc(OC2CCN(CC2)c2ccc(nn2)-n2ccnc2)c1
Show InChI InChI=1S/C19H21N5O/c1-15-3-2-4-17(13-15)25-16-7-10-23(11-8-16)18-5-6-19(22-21-18)24-12-9-20-14-24/h2-6,9,12-14,16H,7-8,10-11H2,1H3
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n/an/a 251n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50305760
PNG
(3-(1H-imidazol-1-yl)-6-(4-(2-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-4-16(15)28-14-7-10-26(11-8-14)17-5-6-18(25-24-17)27-12-9-23-13-27/h1-6,9,12-14H,7-8,10-11H2
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n/an/a 300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50301062
PNG
(CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...)
Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1
Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)17-4-2-1-3-16(17)21(32)30-13-11-29(12-14-30)19-8-7-18(27-28-19)20(31)26-10-9-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2,(H,26,31)
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n/an/a 322n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305762
PNG
(3-(1H-imidazol-1-yl)-6-(4-(4-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccc(OC2CCN(CC2)c2ccc(nn2)-n2ccnc2)cc1
Show InChI InChI=1S/C19H18F3N5O/c20-19(21,22)14-1-3-15(4-2-14)28-16-7-10-26(11-8-16)17-5-6-18(25-24-17)27-12-9-23-13-27/h1-6,9,12-13,16H,7-8,10-11H2
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n/an/a 371n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50305760
PNG
(3-(1H-imidazol-1-yl)-6-(4-(2-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H18F3N5O/c20-19(21,22)15-3-1-2-4-16(15)28-14-7-10-26(11-8-14)17-5-6-18(25-24-17)27-12-9-23-13-27/h1-6,9,12-14H,7-8,10-11H2
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n/an/a 400n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305749
PNG
(3-(1H-imidazol-1-yl)-6-(4-(p-tolyloxy)piperidin-1-...)
Show SMILES Cc1ccc(OC2CCN(CC2)c2ccc(nn2)-n2ccnc2)cc1
Show InChI InChI=1S/C19H21N5O/c1-15-2-4-16(5-3-15)25-17-8-11-23(12-9-17)18-6-7-19(22-21-18)24-13-10-20-14-24/h2-7,10,13-14,17H,8-9,11-12H2,1H3
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n/an/a 527n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305755
PNG
(3-(1H-imidazol-1-yl)-6-(4-(2-methoxyphenoxy)piperi...)
Show SMILES COc1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C19H21N5O2/c1-25-16-4-2-3-5-17(16)26-15-8-11-23(12-9-15)18-6-7-19(22-21-18)24-13-10-20-14-24/h2-7,10,13-15H,8-9,11-12H2,1H3
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n/an/a 543n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50301061
PNG
(6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)py...)
Show SMILES NC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)12-4-2-1-3-11(12)16(27)25-9-7-24(8-10-25)14-6-5-13(15(21)26)22-23-14/h1-6H,7-10H2,(H2,21,26)
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n/an/a 692n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305771
PNG
(2-tert-butyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)p...)
Show SMILES CC(C)(C)c1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3N5OS/c1-21(2,3)20-29-28-19(32-20)16-8-9-18(27-26-16)30-12-10-14(11-13-30)31-17-7-5-4-6-15(17)22(23,24)25/h4-9,14H,10-13H2,1-3H3
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n/an/a 710n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305766
PNG
(2-tert-butyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)p...)
Show SMILES CC(C)(C)c1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O2/c1-21(2,3)20-29-28-19(32-20)16-8-9-18(27-26-16)30-12-10-14(11-13-30)31-17-7-5-4-6-15(17)22(23,24)25/h4-9,14H,10-13H2,1-3H3
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n/an/a 980n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305746
PNG
(3-(1H-imidazol-1-yl)-6-(4-phenoxypiperidin-1-yl)py...)
Show SMILES C1CN(CCC1Oc1ccccc1)c1ccc(nn1)-n1ccnc1
Show InChI InChI=1S/C18H19N5O/c1-2-4-15(5-3-1)24-16-8-11-22(12-9-16)17-6-7-18(21-20-17)23-13-10-19-14-23/h1-7,10,13-14,16H,8-9,11-12H2
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n/an/a 1.89E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Rattus norvegicus (Rat))		BDBM50305745
PNG
(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)py...)
Show SMILES OC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H16F3N3O3/c18-17(19,20)12-3-1-2-4-14(12)26-11-7-9-23(10-8-11)15-6-5-13(16(24)25)21-22-15/h1-6,11H,7-10H2,(H,24,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes

Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%