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Compile Data Set for Download or QSAR

Found 590 hits Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase 1 (SCD1)' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50257967
PNG
(CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O
Show InChI InChI=1S/C27H24ClF3N4O3/c1-16(36)32-11-12-35-24-14-19(33-15-17-3-9-22(28)21(13-17)27(29,30)31)6-10-23(24)34-25(26(35)37)18-4-7-20(38-2)8-5-18/h3-10,13-14,33H,11-12,15H2,1-2H3,(H,32,36)
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n/an/a 0.600n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50354672
PNG
(CHEMBL1834453)
Show SMILES Nc1nc2cnc(nc2s1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C16H15BrFN5OS/c17-11-2-1-9(18)7-13(11)24-10-3-5-23(6-4-10)16-20-8-12-14(22-16)25-15(19)21-12/h1-2,7-8,10H,3-6H2,(H2,19,21)
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n/an/a 1n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 in rat liver microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50354682
PNG
(CHEMBL1834455)
Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2ncnc3nc[nH]c23)c1
Show InChI InChI=1S/C16H15BrFN5O/c17-12-2-1-10(18)7-13(12)24-11-3-5-23(6-4-11)16-14-15(20-8-19-14)21-9-22-16/h1-2,7-9,11H,3-6H2,(H,19,20,21,22)
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n/an/a 1n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 in rat liver microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50312702
PNG
((3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-y...)
Show SMILES OCc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O3S/c19-18(20,21)12-3-1-2-4-13(12)27-11-5-7-25(8-6-11)17-22-9-14(29-17)16-23-15(10-26)28-24-16/h1-4,9,11,26H,5-8,10H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50425256
PNG
(CHEMBL2315179)
Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ncc(s3)C#N)Oc3ccccc23)c1
Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)19-5-3-4-18(14-19)17-32-13-10-24(33-22-7-2-1-6-21(22)32)8-11-31(12-9-24)23-30-16-20(15-29)34-23/h1-7,14,16H,8-13,17H2
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 by rat microsomal assay


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50298907
PNG
(CHEMBL572876 | N-(2-(6-(3,4-dichlorobenzylamino)-3...)
Show SMILES OCC(=O)NCCN1C(=O)COc2ccc(NCc3ccc(Cl)c(Cl)c3)cc12
Show InChI InChI=1S/C19H19Cl2N3O4/c20-14-3-1-12(7-15(14)21)9-23-13-2-4-17-16(8-13)24(19(27)11-28-17)6-5-22-18(26)10-25/h1-4,7-8,23,25H,5-6,9-11H2,(H,22,26)
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n/an/a 1.40n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50298904
PNG
(2-hydroxy-N-(2-(2-oxo-3-(trifluoromethyl)-7-(3-(tr...)
Show SMILES OCC(=O)NCCn1c2cc(NCc3cccc(c3)C(F)(F)F)ccc2nc(c1=O)C(F)(F)F
Show InChI InChI=1S/C21H18F6N4O3/c22-20(23,24)13-3-1-2-12(8-13)10-29-14-4-5-15-16(9-14)31(7-6-28-17(33)11-32)19(34)18(30-15)21(25,26)27/h1-5,8-9,29,32H,6-7,10-11H2,(H,28,33)
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n/an/a 1.90n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA delta9 desaturase in rat microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50354677
PNG
(CHEMBL1834443)
Show SMILES OCc1nc2nc(sc2c(=O)[nH]1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O3S/c19-18(20,21)11-3-1-2-4-12(11)28-10-5-7-25(8-6-10)17-24-15-14(29-17)16(27)23-13(9-26)22-15/h1-4,10,26H,5-9H2,(H,22,23,27)
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n/an/a 2n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 in rat liver microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50364041
PNG
(CHEMBL1950551)
Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(OC(F)(F)F)ccc2Br)s1
Show InChI InChI=1S/C16H13BrF3N5O5S/c17-10-3-2-9(30-16(18,19)20)6-11(10)28-4-1-5-29-15-21-7-12(31-15)14-22-24-25(23-14)8-13(26)27/h2-3,6-7H,1,4-5,8H2,(H,26,27)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsome SCD1


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD by rat microsomal assay


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD-1 activity in Sprague-Dawley rat microsome assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50354671
PNG
(CHEMBL1834452)
Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2ncc3[nH]cnc3n2)c1
Show InChI InChI=1S/C16H15BrFN5O/c17-12-2-1-10(18)7-14(12)24-11-3-5-23(6-4-11)16-19-8-13-15(22-16)21-9-20-13/h1-2,7-9,11H,3-6H2,(H,19,20,21,22)
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n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 in rat liver microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50362592
PNG
(CHEMBL1938870)
Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD-1 activity in Sprague-Dawley rat microsome assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50362592
PNG
(CHEMBL1938870)
Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD-1


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50425258
PNG
(CHEMBL2315181)
Show SMILES CNC(=O)c1cnc(s1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2
Show InChI InChI=1S/C26H27F3N4O2S/c1-30-23(34)22-16-31-24(36-22)32-12-9-25(10-13-32)11-14-33(20-7-2-3-8-21(20)35-25)17-18-5-4-6-19(15-18)26(27,28)29/h2-8,15-16H,9-14,17H2,1H3,(H,30,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 by rat microsomal assay


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50312688
PNG
(5-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1...)
Show SMILES NC(=O)c1nnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O2S/c16-15(17,18)10-3-1-2-4-11(10)24-9-5-7-22(8-6-9)14-21-20-13(25-14)12(19)23/h1-4,9H,5-8H2,(H2,19,23)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50425259
PNG
(CHEMBL2315473)
Show SMILES NC(=O)c1cnc(s1)N1CCC2(CC1)CCN(Cc1cccc(c1)C(F)(F)F)c1ccccc1O2
Show InChI InChI=1S/C25H25F3N4O2S/c26-25(27,28)18-5-3-4-17(14-18)16-32-13-10-24(34-20-7-2-1-6-19(20)32)8-11-31(12-9-24)23-30-15-21(35-23)22(29)33/h1-7,14-15H,8-13,16H2,(H2,29,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 by rat microsomal assay


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50312684
PNG
(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)th...)
Show SMILES NC(=O)c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H16F3N3O2S/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)15-21-9-13(25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM174861
PNG
(US9102669, 24)
Show SMILES Cc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12
Show InChI InChI=1S/C22H20FN5O/c1-14-2-3-16(13-24-14)19-5-7-21(26-25-19)28-10-8-15(9-11-28)22-18-12-17(23)4-6-20(18)29-27-22/h2-7,12-13,15H,8-11H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...


US Patent US9102669 (2015)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50354674
PNG
(CHEMBL1834457)
Show SMILES OC(=O)CNc1nc2cnc(nc2s1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C18H17BrFN5O3S/c19-12-2-1-10(20)7-14(12)28-11-3-5-25(6-4-11)17-21-8-13-16(24-17)29-18(23-13)22-9-15(26)27/h1-2,7-8,11H,3-6,9H2,(H,22,23)(H,26,27)
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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 rat SCD1 in rat liver microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50425257
PNG
(CHEMBL2315472)
Show SMILES CNC(=O)c1cnc(s1)N1CCC2(CC1)CCN(Cc1ccc(cc1)C(C)(C)C)c1ccccc1O2
Show InChI InChI=1S/C29H36N4O2S/c1-28(2,3)22-11-9-21(10-12-22)20-33-18-15-29(35-24-8-6-5-7-23(24)33)13-16-32(17-14-29)27-31-19-25(36-27)26(34)30-4/h5-12,19H,13-18,20H2,1-4H3,(H,30,34)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 by rat microsomal assay


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50312700
PNG
(3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)-c1ncon1
Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-22-10-25-23-15/h1-4,9-11H,5-8H2
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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 Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50312683
PNG
(2-(4-(2-(trifluoromethyl)phenylthio)piperidin-1-yl...)
Show SMILES NC(=O)c1cnc(s1)N1CCC(CC1)Sc1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H16F3N3OS2/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)15-21-9-13(25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)
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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 Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50425266
PNG
(CHEMBL2315480)
Show SMILES FC(F)(F)c1cccc(CN2CCC3(CCN(CC3)c3ccc(nn3)C(=O)NCCC3CC3)Oc3ccccc23)c1
Show InChI InChI=1S/C31H34F3N5O2/c32-31(33,34)24-5-3-4-23(20-24)21-39-19-15-30(41-27-7-2-1-6-26(27)39)13-17-38(18-14-30)28-11-10-25(36-37-28)29(40)35-16-12-22-8-9-22/h1-7,10-11,20,22H,8-9,12-19,21H2,(H,35,40)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 by rat microsomal assay


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50364040
PNG
(CHEMBL1950550)
Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(F)ccc2Br)s1
Show InChI InChI=1S/C15H13BrFN5O4S/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-15-18-7-12(27-15)14-19-21-22(20-14)8-13(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24)
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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 rat liver microsome SCD1


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM174891
PNG
(US9102669, 83)
Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1nc(Cl)c2ccccc12
Show InChI InChI=1S/C20H20ClN7/c1-26-13-14(12-22-26)17-6-7-19(24-23-17)27-10-8-15(9-11-27)28-18-5-3-2-4-16(18)20(21)25-28/h2-7,12-13,15H,8-11H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...


US Patent US9102669 (2015)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50448682
PNG
(CHEMBL3127532 | US9102669, 30)
Show SMILES Fc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show InChI InChI=1S/C23H22F2N4/c24-18-4-1-16(2-5-18)21-7-8-23(27-26-21)28-12-10-20(11-13-28)29-14-9-17-3-6-19(25)15-22(17)29/h1-8,15,20H,9-14H2
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n/an/a 6n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...


US Patent US9102669 (2015)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50356891
PNG
(CHEMBL1915541)
Show SMILES NC(=O)c1nnn(Cc2cc(Br)c(Br)c(Br)c2)c1N
Show InChI InChI=1S/C10H8Br3N5O/c11-5-1-4(2-6(12)7(5)13)3-18-9(14)8(10(15)19)16-17-18/h1-2H,3,14H2,(H2,15,19)
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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 rat SCD by rat microsomal assay


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(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


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50443712
PNG
(CHEMBL3093861 | US9238658, 33)
Show SMILES OC1CCc2nc(NC(=O)N3CCC(CC3)N3CCc4ccc(F)cc34)sc2C1
Show InChI InChI=1S/C21H25FN4O2S/c22-14-2-1-13-5-10-26(18(13)11-14)15-6-8-25(9-7-15)21(28)24-20-23-17-4-3-16(27)12-19(17)29-20/h1-2,11,15-16,27H,3-10,12H2,(H,23,24,28)
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n/an/a 7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...


US Patent US9238658 (2016)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50448659
PNG
(CHEMBL3127654)
Show SMILES Cc1csc(n1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show InChI InChI=1S/C21H22FN5S/c1-14-13-28-21(23-14)18-4-5-20(25-24-18)26-9-7-17(8-10-26)27-11-6-15-2-3-16(22)12-19(15)27/h2-5,12-13,17H,6-11H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50448657
PNG
(CHEMBL3127530 | US9102669, 29)
Show SMILES OCc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show InChI InChI=1S/C24H25FN4O/c25-20-6-5-19-9-14-29(23(19)15-20)21-10-12-28(13-11-21)24-8-7-22(26-27-24)18-3-1-17(16-30)2-4-18/h1-8,15,21,30H,9-14,16H2
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n/an/a 7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...


US Patent US9102669 (2015)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50393166
PNG
(CHEMBL2153601)
Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C16H15BrFN7O3S/c17-11-2-1-9(18)7-12(11)28-10-3-5-24(6-4-10)16-21-20-15(29-16)14-19-23-25(22-14)8-13(26)27/h1-2,7,10H,3-6,8H2,(H,26,27)
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n/an/a 7n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD-1 activity in Sprague-Dawley rat microsome assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50354676
PNG
(CHEMBL1834262)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nc2nc[nH]c(=O)c2s1
Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)11-3-1-2-4-12(11)26-10-5-7-24(8-6-10)16-23-14-13(27-16)15(25)22-9-21-14/h1-4,9-10H,5-8H2,(H,21,22,25)
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n/an/a 7n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 in rat liver microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50354667
PNG
(CHEMBL1834456)
Show SMILES OC(=O)COc1nc2cnc(nc2s1)N1CCC(CC1)Oc1cc(F)ccc1Br
Show InChI InChI=1S/C18H16BrFN4O4S/c19-12-2-1-10(20)7-14(12)28-11-3-5-24(6-4-11)17-21-8-13-16(23-17)29-18(22-13)27-9-15(25)26/h1-2,7-8,11H,3-6,9H2,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat SCD1 in rat liver microsome


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM174867
PNG
(US9102669, 33)
Show SMILES COc1ccc(nc1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12
Show InChI InChI=1S/C22H20FN5O2/c1-29-16-3-4-18(24-13-16)19-5-7-21(26-25-19)28-10-8-14(9-11-28)22-17-12-15(23)2-6-20(17)30-27-22/h2-7,12-14H,8-11H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...


US Patent US9102669 (2015)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM174889
PNG
(US9102669, 81)
Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ncc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7/c1-29-13-15(12-25-29)18-4-5-20(28-27-18)30-8-6-17(7-9-30)31-19-10-16(21(22,23)24)3-2-14(19)11-26-31/h2-5,10-13,17H,6-9H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...


US Patent US9102669 (2015)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM174903
PNG
(US9102669, 96)
Show SMILES COCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12
Show InChI InChI=1S/C21H21FN6O2/c1-29-13-14-11-23-28(12-14)20-5-4-19(24-25-20)27-8-6-15(7-9-27)21-17-10-16(22)2-3-18(17)30-26-21/h2-5,10-12,15H,6-9,13H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...


US Patent US9102669 (2015)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50443716
PNG
(CHEMBL3093874 | US9238658, 50)
Show SMILES OCCc1cnc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)s1
Show InChI InChI=1S/C19H23FN4O2S/c20-14-2-1-13-3-9-24(17(13)11-14)15-4-7-23(8-5-15)19(26)22-18-21-12-16(27-18)6-10-25/h1-2,11-12,15,25H,3-10H2,(H,21,22,26)
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Janssen Pharmaceutica NV

US Patent


Assay Description
The SCD1 enzymatic assay was done in a volume of 50 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reac...


US Patent US9238658 (2016)

More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50448667
PNG
(CHEMBL3127646)
Show SMILES CCOc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show InChI InChI=1S/C22H25FN6O/c1-2-30-19-14-24-29(15-19)22-6-5-21(25-26-22)27-10-8-18(9-11-27)28-12-7-16-3-4-17(23)13-20(16)28/h3-6,13-15,18H,2,7-12H2,1H3
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Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50443716
PNG
(CHEMBL3093874 | US9238658, 50)
Show SMILES OCCc1cnc(NC(=O)N2CCC(CC2)N2CCc3ccc(F)cc23)s1
Show InChI InChI=1S/C19H23FN4O2S/c20-14-2-1-13-3-9-24(17(13)11-14)15-4-7-23(8-5-15)19(26)22-18-21-12-16(27-18)6-10-25/h1-2,11-12,15,25H,3-10H2,(H,21,22,26)
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Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using Stearoyl-[9,10-3H]-CoA as substrate assessed as [3H2O] generation


Citation and Details
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50312692
PNG
(3-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)is...)
Show SMILES NC(=O)c1cc(no1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H16F3N3O3/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)14-9-13(15(20)23)25-21-14/h1-4,9-10H,5-8H2,(H2,20,23)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...


Citation and Details
More data for this
Ligand-Target Pair
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