BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 324 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' AND taxid = 10090   
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
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306131
PNG
(1'-(6-(5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl...)
Show SMILES FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12
Show InChI InChI=1S/C26H23F3N6O2/c27-26(28,29)19-4-1-5-21-18(19)8-9-25(37-21)10-13-35(14-11-25)22-7-6-20(31-32-22)24-34-33-23(36-24)15-17-3-2-12-30-16-17/h1-7,12,16H,8-11,13-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50330378
PNG
(5-Chloro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...)
Show SMILES Clc1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12
Show InChI InChI=1S/C25H23ClN6O2/c26-19-4-1-5-21-18(19)8-9-25(34-21)10-13-32(14-11-25)22-7-6-20(28-29-22)24-31-30-23(33-24)15-17-3-2-12-27-16-17/h1-7,12,16H,8-11,13-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins


Eur J Med Chem 45: 4788-96 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306131
PNG
(1'-(6-(5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl...)
Show SMILES FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12
Show InChI InChI=1S/C26H23F3N6O2/c27-26(28,29)19-4-1-5-21-18(19)8-9-25(37-21)10-13-35(14-11-25)22-7-6-20(31-32-22)24-34-33-23(36-24)15-17-3-2-12-30-16-17/h1-7,12,16H,8-11,13-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins


Eur J Med Chem 45: 4788-96 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296527
PNG
(CHEMBL552269 | N-(5-(3,5-difluorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C20H18F2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306129
PNG
(1'-(6-(3-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-y...)
Show SMILES FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)[nH]3)CCc12
Show InChI InChI=1S/C26H24F3N7O/c27-26(28,29)19-4-1-5-21-18(19)8-9-25(37-21)10-13-36(14-11-25)23-7-6-20(32-34-23)24-31-22(33-35-24)15-17-3-2-12-30-16-17/h1-7,12,16H,8-11,13-15H2,(H,31,33,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296528
PNG
(CHEMBL557445 | N-(5-(4-fluoro-3-(trifluoromethyl)b...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H18F4N2O4S/c1-30-17-5-3-13(10-18(17)31-7-6-28)19(29)27-20-26-11-14(32-20)8-12-2-4-16(22)15(9-12)21(23,24)25/h2-5,9-11,28H,6-8H2,1H3,(H,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50330380
PNG
(5-Methyl-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...)
Show SMILES Cc1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12
Show InChI InChI=1S/C26H26N6O2/c1-18-4-2-6-22-20(18)9-10-26(34-22)11-14-32(15-12-26)23-8-7-21(28-29-23)25-31-30-24(33-25)16-19-5-3-13-27-17-19/h2-8,13,17H,9-12,14-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins


Eur J Med Chem 45: 4788-96 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306126
PNG
(CHEMBL605412 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCc1c(O2)cccc1C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C26H26F3N5O3/c27-26(28,29)19-4-1-5-22-18(19)8-9-25(37-22)10-13-34(14-11-25)23-7-6-20(32-33-23)24(36)31-16-21(35)17-3-2-12-30-15-17/h1-7,12,15,21,35H,8-11,13-14,16H2,(H,31,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296309
PNG
(4-(ethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(triflu...)
Show SMILES CCNc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C22H22F3N3O3S/c1-2-26-18-7-6-15(12-19(18)31-9-8-29)20(30)28-21-27-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,26,29H,2,8-9,11H2,1H3,(H,27,28,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 19: 4159-66 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50330379
PNG
(5,8-Difluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-o...)
Show SMILES Fc1ccc(F)c2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12
Show InChI InChI=1S/C25H22F2N6O2/c26-18-3-4-19(27)23-17(18)7-8-25(35-23)9-12-33(13-10-25)21-6-5-20(29-30-21)24-32-31-22(34-24)14-16-2-1-11-28-15-16/h1-6,11,15H,7-10,12-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins


Eur J Med Chem 45: 4788-96 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306124
PNG
(6-(5-chlorospiro[chroman-2,4'-piperidine]-1'-yl)-N...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCc1c(Cl)cccc1O2)c1cccnc1
Show InChI InChI=1S/C25H26ClN5O3/c26-19-4-1-5-22-18(19)8-9-25(34-22)10-13-31(14-11-25)23-7-6-20(29-30-23)24(33)28-16-21(32)17-3-2-12-27-15-17/h1-7,12,15,21,32H,8-11,13-14,16H2,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296295
PNG
(CHEMBL552173 | N-(5-(3,5-bis(trifluoromethyl)benzy...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1
Show InChI InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 19: 4159-66 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296295
PNG
(CHEMBL552173 | N-(5-(3,5-bis(trifluoromethyl)benzy...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1
Show InChI InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296526
PNG
(CHEMBL552126 | N-(5-(3,5-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-3-2-13(9-18(17)28-5-4-25)19(26)24-20-23-11-16(29-20)8-12-6-14(21)10-15(22)7-12/h2-3,6-7,9-11,25H,4-5,8H2,1H3,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296531
PNG
(CHEMBL550800 | N-(5-(3,4-dichlorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C20H18Cl2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296529
PNG
(CHEMBL552270 | N-(5-(3-chloro-4-fluorobenzyl)thiaz...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(Cl)c2)s1
Show InChI InChI=1S/C20H18ClFN2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-16(22)15(21)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50371080
PNG
(CHEMBL376392)
Show SMILES NC(=O)c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Cl
Show InChI InChI=1S/C16H16ClFN4O2/c17-12-2-1-10(18)9-14(12)24-11-5-7-22(8-6-11)15-4-3-13(16(19)23)20-21-15/h1-4,9,11H,5-8H2,(H2,19,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome


J Med Chem 50: 3086-100 (2007)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296522
PNG
(CHEMBL561588 | N-(5-(3-chlorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C20H19ClN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306125
PNG
(CHEMBL595255 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)...)
Show SMILES Cc1cccc2OC3(CCN(CC3)c3ccc(nn3)C(=O)NCC(O)c3cccnc3)CCc12
Show InChI InChI=1S/C26H29N5O3/c1-18-4-2-6-23-20(18)9-10-26(34-23)11-14-31(15-12-26)24-8-7-21(29-30-24)25(33)28-17-22(32)19-5-3-13-27-16-19/h2-8,13,16,22,32H,9-12,14-15,17H2,1H3,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296521
PNG
(CHEMBL559108 | N-(5-(3-fluorobenzyl)thiazol-2-yl)-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(F)c2)s1
Show InChI InChI=1S/C20H19FN2O4S/c1-26-17-6-5-14(11-18(17)27-8-7-24)19(25)23-20-22-12-16(28-20)10-13-3-2-4-15(21)9-13/h2-6,9,11-12,24H,7-8,10H2,1H3,(H,22,23,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296294
PNG
(3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296530
PNG
(CHEMBL557652 | N-(5-(3,4-difluorobenzyl)thiazol-2-...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C20H18F2N2O4S/c1-27-17-5-3-13(10-18(17)28-7-6-25)19(26)24-20-23-11-14(29-20)8-12-2-4-15(21)16(22)9-12/h2-5,9-11,25H,6-8H2,1H3,(H,23,24,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306128
PNG
(1-(pyridin-3-ylmethyl)-3-(6-(5-(trifluoromethyl)sp...)
Show SMILES FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(NC(=O)NCc4cccnc4)nn3)CCc12
Show InChI InChI=1S/C25H25F3N6O2/c26-25(27,28)19-4-1-5-20-18(19)8-9-24(36-20)10-13-34(14-11-24)22-7-6-21(32-33-22)31-23(35)30-16-17-3-2-12-29-15-17/h1-7,12,15H,8-11,13-14,16H2,(H2,30,31,32,35)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296294
PNG
(3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 19: 4159-66 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306127
PNG
(6-(5,8-difluorospiro[chroman-2,4'-piperidine]-1'-y...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CCc1c(F)ccc(F)c1O2)c1cccnc1
Show InChI InChI=1S/C25H25F2N5O3/c26-18-3-4-19(27)23-17(18)7-8-25(35-23)9-12-32(13-10-25)22-6-5-20(30-31-22)24(34)29-15-21(33)16-2-1-11-28-14-16/h1-6,11,14,21,33H,7-10,12-13,15H2,(H,29,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306132
PNG
(1'-(6-(5-(2-(pyridin-3-yl)ethyl)-1,3,4-oxadiazol-2...)
Show SMILES FC(F)(F)c1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(CCc4cccnc4)o3)CCc12
Show InChI InChI=1S/C27H25F3N6O2/c28-27(29,30)20-4-1-5-22-19(20)10-11-26(38-22)12-15-36(16-13-26)23-8-7-21(32-33-23)25-35-34-24(37-25)9-6-18-3-2-14-31-17-18/h1-5,7-8,14,17H,6,9-13,15-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296304
PNG
(4-ethoxy-3-(2-hydroxyethoxy)-N-(5-(3-(trifluoromet...)
Show SMILES CCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C22H21F3N2O4S/c1-2-30-18-7-6-15(12-19(18)31-9-8-28)20(29)27-21-26-13-17(32-21)11-14-4-3-5-16(10-14)22(23,24)25/h3-7,10,12-13,28H,2,8-9,11H2,1H3,(H,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 19: 4159-66 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296533
PNG
(3-(4-methoxyphenyl)-N-(5-(3-(trifluoromethyl)benzy...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ncc(Cc3cccc(c3)C(F)(F)F)s2)cc1
Show InChI InChI=1S/C21H17F3N2O2S/c1-28-17-8-5-14(6-9-17)7-10-19(27)26-20-25-13-18(29-20)12-15-3-2-4-16(11-15)21(22,23)24/h2-11,13H,12H2,1H3,(H,25,26,27)/b10-7+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50304943
PNG
(CHEMBL590374 | N-(2-hydroxy-2-phenylethyl)-6-(4-(2...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C26H25F3N4O3/c27-26(28,29)20-9-5-4-8-19(20)24(35)18-12-14-33(15-13-18)23-11-10-21(31-32-23)25(36)30-16-22(34)17-6-2-1-3-7-17/h1-11,18,22,34H,12-16H2,(H,30,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins


Bioorg Med Chem Lett 20: 341-5 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50330381
PNG
(5-Fluoro-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...)
Show SMILES Fc1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12
Show InChI InChI=1S/C25H23FN6O2/c26-19-4-1-5-21-18(19)8-9-25(34-21)10-13-32(14-11-25)22-7-6-20(28-29-22)24-31-30-23(33-24)15-17-3-2-12-27-16-17/h1-7,12,16H,8-11,13-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins


Eur J Med Chem 45: 4788-96 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50330382
PNG
(1'-{6-[5-(Pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl...)
Show SMILES C(c1nnc(o1)-c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2)c1cccnc1
Show InChI InChI=1S/C25H24N6O2/c1-2-6-21-19(5-1)9-10-25(33-21)11-14-31(15-12-25)22-8-7-20(27-28-22)24-30-29-23(32-24)16-18-4-3-13-26-17-18/h1-8,13,17H,9-12,14-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins


Eur J Med Chem 45: 4788-96 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50304955
PNG
(CHEMBL590108 | N-(2-hydroxy-2-(thiophen-3-yl)ethyl...)
Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccsc1
Show InChI InChI=1S/C24H26N4O3S/c1-16-4-2-3-5-19(16)23(30)17-8-11-28(12-9-17)22-7-6-20(26-27-22)24(31)25-14-21(29)18-10-13-32-15-18/h2-7,10,13,15,17,21,29H,8-9,11-12,14H2,1H3,(H,25,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins


Bioorg Med Chem Lett 20: 341-5 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296305
PNG
(3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-(5-(3-(t...)
Show SMILES COCCOc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C23H23F3N2O5S/c1-31-9-10-33-19-6-5-16(13-20(19)32-8-7-29)21(30)28-22-27-14-18(34-22)12-15-3-2-4-17(11-15)23(24,25)26/h2-6,11,13-14,29H,7-10,12H2,1H3,(H,27,28,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 19: 4159-66 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50371071
PNG
(CHEMBL227205)
Show SMILES CNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1ccccc1Br
Show InChI InChI=1S/C17H19BrN4O2/c1-19-17(23)14-6-7-16(21-20-14)22-10-8-12(9-11-22)24-15-5-3-2-4-13(15)18/h2-7,12H,8-11H2,1H3,(H,19,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome


J Med Chem 50: 3086-100 (2007)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of mouse SCD-1


J Med Chem 54: 5082-96 (2011)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of mouse SCD-1


Bioorg Med Chem Lett 22: 980-4 (2012)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50330383
PNG
(1'-{6-[5-(Pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl...)
Show SMILES C(c1nnc(o1)-c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2)c1ccccn1
Show InChI InChI=1S/C25H24N6O2/c1-2-7-21-18(5-1)10-11-25(33-21)12-15-31(16-13-25)22-9-8-20(27-28-22)24-30-29-23(32-24)17-19-6-3-4-14-26-19/h1-9,14H,10-13,15-17H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins


Eur J Med Chem 45: 4788-96 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296524
PNG
(3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(OC(F)(F)F)c2)s1
Show InChI InChI=1S/C21H19F3N2O5S/c1-29-17-6-5-14(11-18(17)30-8-7-27)19(28)26-20-25-12-16(32-20)10-13-3-2-4-15(9-13)31-21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296513
PNG
(4-(2-hydroxyethoxy)-3-methoxy-N-(5-(3-(trifluorome...)
Show SMILES COc1cc(ccc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-18-11-14(5-6-17(18)30-8-7-27)19(28)26-20-25-12-16(31-20)10-13-3-2-4-15(9-13)21(22,23)24/h2-6,9,11-12,27H,7-8,10H2,1H3,(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50371087
PNG
(CHEMBL375514)
Show SMILES Cc1nnc([nH]1)-c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Cl
Show InChI InChI=1S/C18H18ClFN6O/c1-11-21-18(25-22-11)15-4-5-17(24-23-15)26-8-6-13(7-9-26)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3,(H,21,22,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome


J Med Chem 50: 3086-100 (2007)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50330384
PNG
(1'-{6-[5-(Pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-yl...)
Show SMILES C(c1nnc(o1)-c1ccc(nn1)N1CCC2(CC1)CCc1ccccc1O2)c1ccncc1
Show InChI InChI=1S/C25H24N6O2/c1-2-4-21-19(3-1)7-10-25(33-21)11-15-31(16-12-25)22-6-5-20(27-28-22)24-30-29-23(32-24)17-18-8-13-26-14-9-18/h1-6,8-9,13-14H,7,10-12,15-17H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins


Eur J Med Chem 45: 4788-96 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296308
PNG
(4-(diethylamino)-3-(2-hydroxyethoxy)-N-(5-(3-(trif...)
Show SMILES CCN(CC)c1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C24H26F3N3O3S/c1-3-30(4-2)20-9-8-17(14-21(20)33-11-10-31)22(32)29-23-28-15-19(34-23)13-16-6-5-7-18(12-16)24(25,26)27/h5-9,12,14-15,31H,3-4,10-11,13H2,1-2H3,(H,28,29,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate


Bioorg Med Chem Lett 19: 4159-66 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50306130
PNG
(1'-(6-(1-methyl-3-(pyridin-3-ylmethyl)-1H-1,2,4-tr...)
Show SMILES Cn1nc(Cc2cccnc2)nc1-c1ccc(nn1)N1CCC2(CC1)CCc1c(O2)cccc1C(F)(F)F
Show InChI InChI=1S/C27H26F3N7O/c1-36-25(32-23(35-36)16-18-4-3-13-31-17-18)21-7-8-24(34-33-21)37-14-11-26(12-15-37)10-9-19-20(27(28,29)30)5-2-6-22(19)38-26/h2-8,13,17H,9-12,14-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 20: 746-54 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50371060
PNG
(CHEMBL226646)
Show SMILES Cc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Cl
Show InChI InChI=1S/C18H17ClFN5O2/c1-11-21-24-18(26-11)15-4-5-17(23-22-15)25-8-6-13(7-9-25)27-16-10-12(20)2-3-14(16)19/h2-5,10,13H,6-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome


J Med Chem 50: 3086-100 (2007)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50296534
PNG
(6-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-...)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C23H17F3N2O2S/c1-30-19-8-7-15-11-17(6-5-16(15)12-19)21(29)28-22-27-13-20(31-22)10-14-3-2-4-18(9-14)23(24,25)26/h2-9,11-13H,10H2,1H3,(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins


Bioorg Med Chem Lett 19: 4151-8 (2009)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50371053
PNG
(CHEMBL227256)
Show SMILES CNC(=O)c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Cl
Show InChI InChI=1S/C17H18ClFN4O2/c1-20-17(24)14-4-5-16(22-21-14)23-8-6-12(7-9-23)25-15-10-11(19)2-3-13(15)18/h2-5,10,12H,6-9H2,1H3,(H,20,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome


J Med Chem 50: 3086-100 (2007)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50304950
PNG
(CHEMBL589404 | N-(2-(3-fluorophenyl)-2-hydroxyethy...)
Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccc(F)c1
Show InChI InChI=1S/C26H27FN4O3/c1-17-5-2-3-8-21(17)25(33)18-11-13-31(14-12-18)24-10-9-22(29-30-24)26(34)28-16-23(32)19-6-4-7-20(27)15-19/h2-10,15,18,23,32H,11-14,16H2,1H3,(H,28,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins


Bioorg Med Chem Lett 20: 341-5 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50304946
PNG
(CHEMBL600052 | N-(2-hydroxy-2-phenylethyl)-6-(4-(3...)
Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1OC(F)(F)F)c1ccccc1
Show InChI InChI=1S/C26H25F3N4O4/c27-26(28,29)37-22-9-5-4-8-19(22)24(35)18-12-14-33(15-13-18)23-11-10-20(31-32-23)25(36)30-16-21(34)17-6-2-1-3-7-17/h1-11,18,21,34H,12-16H2,(H,30,36)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins


Bioorg Med Chem Lett 20: 341-5 (2010)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50371046
PNG
(CHEMBL427416)
Show SMILES Cc1noc(n1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C
Show InChI InChI=1S/C19H21N5O2/c1-13-5-3-4-6-17(13)25-15-9-11-24(12-10-15)18-8-7-16(21-22-18)19-20-14(2)23-26-19/h3-8,15H,9-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ob/ob mouse liver microsome


J Med Chem 50: 3086-100 (2007)

More data for this
Ligand-Target Pair
Acyl-CoA desaturase 1


(Mus musculus)
BDBM50304937
PNG
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H24F3N5O2/c26-25(27,28)20-9-5-4-8-19(20)24(35)33-16-14-32(15-17-33)22-11-10-21(30-31-22)23(34)29-13-12-18-6-2-1-3-7-18/h1-11H,12-17H2,(H,29,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Daiichi Sankyo Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins


Bioorg Med Chem Lett 20: 341-5 (2010)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 324 total )  |  Next  |  Last  >>
Jump to: