Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50045397   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060672 (CHEMBL3394690) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(o2)C(F)(F)F)c1=O Show InChI InChI=1S/C19H15F3N6O3S/c1-11-15(16(29)24-8-12-3-2-6-23-7-12)32-17(26-11)27-10-25-28(18(27)30)9-13-4-5-14(31-13)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060665 (CHEMBL3394697) Show SMILES Fc1ccc(Cn2ncn(-c3cc([nH]n3)C(=O)NCc3cccnc3)c2=O)cc1 Show InChI InChI=1S/C19H16FN7O2/c20-15-5-3-13(4-6-15)11-27-19(29)26(12-23-27)17-8-16(24-25-17)18(28)22-10-14-2-1-7-21-9-14/h1-9,12H,10-11H2,(H,22,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060672 (CHEMBL3394690) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(o2)C(F)(F)F)c1=O Show InChI InChI=1S/C19H15F3N6O3S/c1-11-15(16(29)24-8-12-3-2-6-23-7-12)32-17(26-11)27-10-25-28(18(27)30)9-13-4-5-14(31-13)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060671 (CHEMBL3394691) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CCOc2ccc(F)cc2)c1=O Show InChI InChI=1S/C21H19FN6O3S/c1-14-18(19(29)24-12-15-3-2-8-23-11-15)32-20(26-14)27-13-25-28(21(27)30)9-10-31-17-6-4-16(22)5-7-17/h2-8,11,13H,9-10,12H2,1H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060651 (CHEMBL3394684) Show SMILES Cc1cc(CNC(=O)c2sc(nc2C)-n2cnn(Cc3ccc(F)cc3)c2=O)[nH]n1 Show InChI InChI=1S/C19H18FN7O2S/c1-11-7-15(25-24-11)8-21-17(28)16-12(2)23-18(30-16)26-10-22-27(19(26)29)9-13-3-5-14(20)6-4-13/h3-7,10H,8-9H2,1-2H3,(H,21,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060654 (CHEMBL3393077) Show SMILES Cc1nc(sc1C(=O)NCc1nccs1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C18H15FN6O2S2/c1-11-15(16(26)21-8-14-20-6-7-28-14)29-17(23-11)24-10-22-25(18(24)27)9-12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060654 (CHEMBL3393077) Show SMILES Cc1nc(sc1C(=O)NCc1nccs1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C18H15FN6O2S2/c1-11-15(16(26)21-8-14-20-6-7-28-14)29-17(23-11)24-10-22-25(18(24)27)9-12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060656 (CHEMBL3394680) Show SMILES Cc1nc(sc1C(=O)NCc1cocn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C18H15FN6O3S/c1-11-15(16(26)20-6-14-8-28-10-21-14)29-17(23-11)24-9-22-25(18(24)27)7-12-2-4-13(19)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,20,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060667 (CHEMBL3394695) Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)-n1cnn(Cc2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C21H17F3N6O2S/c1-13-17(18(31)26-10-16-4-2-3-9-25-16)33-19(28-13)29-12-27-30(20(29)32)11-14-5-7-15(8-6-14)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060671 (CHEMBL3394691) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CCOc2ccc(F)cc2)c1=O Show InChI InChI=1S/C21H19FN6O3S/c1-14-18(19(29)24-12-15-3-2-8-23-11-15)32-20(26-14)27-13-25-28(21(27)30)9-10-31-17-6-4-16(22)5-7-17/h2-8,11,13H,9-10,12H2,1H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060657 (CHEMBL3394679) Show SMILES Cc1nc(sc1C(=O)NCc1cnc(C)cn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C20H18FN7O2S/c1-12-7-23-16(8-22-12)9-24-18(29)17-13(2)26-19(31-17)27-11-25-28(20(27)30)10-14-3-5-15(21)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060647 (CHEMBL3394688) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C21H17F3N6O2S/c1-13-17(18(31)26-10-15-3-2-8-25-9-15)33-19(28-13)29-12-27-30(20(29)32)11-14-4-6-16(7-5-14)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060650 (CHEMBL3394685) Show SMILES Cc1nc(sc1C(=O)NCc1cnn(C)c1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C19H18FN7O2S/c1-12-16(17(28)21-7-14-8-22-25(2)9-14)30-18(24-12)26-11-23-27(19(26)29)10-13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060673 (CHEMBL3394689) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2cc(F)cc(F)c2)c1=O Show InChI InChI=1S/C20H16F2N6O2S/c1-12-17(18(29)24-9-13-3-2-4-23-8-13)31-19(26-12)27-11-25-28(20(27)30)10-14-5-15(21)7-16(22)6-14/h2-8,11H,9-10H2,1H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060659 (CHEMBL3394675) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C20H17FN6O2S/c1-13-17(18(28)23-10-15-3-2-8-22-9-15)30-19(25-13)26-12-24-27(20(26)29)11-14-4-6-16(21)7-5-14/h2-9,12H,10-11H2,1H3,(H,23,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060668 (CHEMBL3394694) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CCCC(F)(F)F)c1=O Show InChI InChI=1S/C17H17F3N6O2S/c1-11-13(14(27)22-9-12-4-2-6-21-8-12)29-15(24-11)25-10-23-26(16(25)28)7-3-5-17(18,19)20/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,22,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060655 (CHEMBL3394681) Show SMILES Cc1nc(sc1C(=O)NCc1ncco1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C18H15FN6O3S/c1-11-15(16(26)21-8-14-20-6-7-28-14)29-17(23-11)24-10-22-25(18(24)27)9-12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060658 (CHEMBL3394676) Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C20H17FN6O2S/c1-13-17(18(28)23-10-16-4-2-3-9-22-16)30-19(25-13)26-12-24-27(20(26)29)11-14-5-7-15(21)8-6-14/h2-9,12H,10-11H2,1H3,(H,23,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060664 (CHEMBL3394698) Show SMILES Fc1ccc(Cn2ncn(-c3cc([nH]n3)C(=O)NCc3ccccn3)c2=O)cc1 Show InChI InChI=1S/C19H16FN7O2/c20-14-6-4-13(5-7-14)11-27-19(29)26(12-23-27)17-9-16(24-25-17)18(28)22-10-15-3-1-2-8-21-15/h1-9,12H,10-11H2,(H,22,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060653 (CHEMBL3394682) Show SMILES Cc1ncc(CNC(=O)c2sc(nc2C)-n2cnn(Cc3ccc(F)cc3)c2=O)s1 Show InChI InChI=1S/C19H17FN6O2S2/c1-11-16(17(27)22-8-15-7-21-12(2)29-15)30-18(24-11)25-10-23-26(19(25)28)9-13-3-5-14(20)6-4-13/h3-7,10H,8-9H2,1-2H3,(H,22,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060649 (CHEMBL3394686) Show SMILES Cc1nc(sc1C(=O)NCc1cn(C)cn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C19H18FN7O2S/c1-12-16(17(28)21-7-15-9-25(2)10-22-15)30-18(24-12)26-11-23-27(19(26)29)8-13-3-5-14(20)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,21,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060666 (CHEMBL3394696) Show SMILES CC(c1ccc(F)cc1)n1ncn(-c2nc(C)c(s2)C(=O)NCc2ccccn2)c1=O Show InChI InChI=1S/C21H19FN6O2S/c1-13-18(19(29)24-11-17-5-3-4-10-23-17)31-20(26-13)27-12-25-28(21(27)30)14(2)15-6-8-16(22)9-7-15/h3-10,12,14H,11H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060653 (CHEMBL3394682) Show SMILES Cc1ncc(CNC(=O)c2sc(nc2C)-n2cnn(Cc3ccc(F)cc3)c2=O)s1 Show InChI InChI=1S/C19H17FN6O2S2/c1-11-16(17(27)22-8-15-7-21-12(2)29-15)30-18(24-11)25-10-23-26(19(25)28)9-13-3-5-14(20)6-4-13/h3-7,10H,8-9H2,1-2H3,(H,22,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060656 (CHEMBL3394680) Show SMILES Cc1nc(sc1C(=O)NCc1cocn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C18H15FN6O3S/c1-11-15(16(26)20-6-14-8-28-10-21-14)29-17(23-11)24-9-22-25(18(24)27)7-12-2-4-13(19)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,20,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060652 (CHEMBL3394683) Show SMILES Cc1nc(sc1C(=O)NCc1cc[nH]n1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C18H16FN7O2S/c1-11-15(16(27)20-8-14-6-7-21-24-14)29-17(23-11)25-10-22-26(18(25)28)9-12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,27)(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060647 (CHEMBL3394688) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C21H17F3N6O2S/c1-13-17(18(31)26-10-15-3-2-8-25-9-15)33-19(28-13)29-12-27-30(20(29)32)11-14-4-6-16(7-5-14)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060669 (CHEMBL3394693) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CC2CC2(F)F)c1=O Show InChI InChI=1S/C17H16F2N6O2S/c1-10-13(14(26)21-7-11-3-2-4-20-6-11)28-15(23-10)24-9-22-25(16(24)27)8-12-5-17(12,18)19/h2-4,6,9,12H,5,7-8H2,1H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060648 (CHEMBL3394687) Show SMILES Cc1nc(sc1C(N)=O)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C14H12FN5O2S/c1-8-11(12(16)21)23-13(18-8)19-7-17-20(14(19)22)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H2,16,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060666 (CHEMBL3394696) Show SMILES CC(c1ccc(F)cc1)n1ncn(-c2nc(C)c(s2)C(=O)NCc2ccccn2)c1=O Show InChI InChI=1S/C21H19FN6O2S/c1-13-18(19(29)24-11-17-5-3-4-10-23-17)31-20(26-13)27-12-25-28(21(27)30)14(2)15-6-8-16(22)9-7-15/h3-10,12,14H,11H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060658 (CHEMBL3394676) Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C20H17FN6O2S/c1-13-17(18(28)23-10-16-4-2-3-9-22-16)30-19(25-13)26-12-24-27(20(26)29)11-14-5-7-15(21)8-6-14/h2-9,12H,10-11H2,1H3,(H,23,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060670 (CHEMBL3394692) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CC2CC2)c1=O Show InChI InChI=1S/C17H18N6O2S/c1-11-14(15(24)19-8-13-3-2-6-18-7-13)26-16(21-11)22-10-20-23(17(22)25)9-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060665 (CHEMBL3394697) Show SMILES Fc1ccc(Cn2ncn(-c3cc([nH]n3)C(=O)NCc3cccnc3)c2=O)cc1 Show InChI InChI=1S/C19H16FN7O2/c20-15-5-3-13(4-6-15)11-27-19(29)26(12-23-27)17-8-16(24-25-17)18(28)22-10-14-2-1-7-21-9-14/h1-9,12H,10-11H2,(H,22,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060652 (CHEMBL3394683) Show SMILES Cc1nc(sc1C(=O)NCc1cc[nH]n1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C18H16FN7O2S/c1-11-15(16(27)20-8-14-6-7-21-24-14)29-17(23-11)25-10-22-26(18(25)28)9-12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,27)(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060673 (CHEMBL3394689) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2cc(F)cc(F)c2)c1=O Show InChI InChI=1S/C20H16F2N6O2S/c1-12-17(18(29)24-9-13-3-2-4-23-8-13)31-19(26-12)27-11-25-28(20(27)30)10-14-5-15(21)7-16(22)6-14/h2-8,11H,9-10H2,1H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060670 (CHEMBL3394692) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CC2CC2)c1=O Show InChI InChI=1S/C17H18N6O2S/c1-11-14(15(24)19-8-13-3-2-6-18-7-13)26-16(21-11)22-10-20-23(17(22)25)9-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060661 (CHEMBL3394701) Show SMILES Cn1cc(CNC(=O)c2cc(n[nH]2)-n2cnn(Cc3ccc(F)cc3)c2=O)cn1 Show InChI InChI=1S/C18H17FN8O2/c1-25-9-13(8-21-25)7-20-17(28)15-6-16(24-23-15)26-11-22-27(18(26)29)10-12-2-4-14(19)5-3-12/h2-6,8-9,11H,7,10H2,1H3,(H,20,28)(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060662 (CHEMBL3394700) Show SMILES Fc1ccc(Cn2ncn(-c3cc([nH]n3)C(=O)NCc3cocn3)c2=O)cc1 Show InChI InChI=1S/C17H14FN7O3/c18-12-3-1-11(2-4-12)7-25-17(27)24(9-21-25)15-5-14(22-23-15)16(26)19-6-13-8-28-10-20-13/h1-5,8-10H,6-7H2,(H,19,26)(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060657 (CHEMBL3394679) Show SMILES Cc1nc(sc1C(=O)NCc1cnc(C)cn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C20H18FN7O2S/c1-12-7-23-16(8-22-12)9-24-18(29)17-13(2)26-19(31-17)27-11-25-28(20(27)30)10-14-3-5-15(21)6-4-14/h3-8,11H,9-10H2,1-2H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060655 (CHEMBL3394681) Show SMILES Cc1nc(sc1C(=O)NCc1ncco1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C18H15FN6O3S/c1-11-15(16(26)21-8-14-20-6-7-28-14)29-17(23-11)24-10-22-25(18(24)27)9-12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060667 (CHEMBL3394695) Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)-n1cnn(Cc2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C21H17F3N6O2S/c1-13-17(18(31)26-10-16-4-2-3-9-25-16)33-19(28-13)29-12-27-30(20(29)32)11-14-5-7-15(8-6-14)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060659 (CHEMBL3394675) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C20H17FN6O2S/c1-13-17(18(28)23-10-15-3-2-8-22-9-15)30-19(25-13)26-12-24-27(20(26)29)11-14-4-6-16(21)7-5-14/h2-9,12H,10-11H2,1H3,(H,23,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060651 (CHEMBL3394684) Show SMILES Cc1cc(CNC(=O)c2sc(nc2C)-n2cnn(Cc3ccc(F)cc3)c2=O)[nH]n1 Show InChI InChI=1S/C19H18FN7O2S/c1-11-7-15(25-24-11)8-21-17(28)16-12(2)23-18(30-16)26-10-22-27(19(26)29)9-13-3-5-14(20)6-4-13/h3-7,10H,8-9H2,1-2H3,(H,21,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060669 (CHEMBL3394693) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CC2CC2(F)F)c1=O Show InChI InChI=1S/C17H16F2N6O2S/c1-10-13(14(26)21-7-11-3-2-4-20-6-11)28-15(23-10)24-9-22-25(16(24)27)8-12-5-17(12,18)19/h2-4,6,9,12H,5,7-8H2,1H3,(H,21,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060660 (CHEMBL3394702) Show SMILES CNC(=O)c1cc(n[nH]1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C14H13FN6O2/c1-16-13(22)11-6-12(19-18-11)20-8-17-21(14(20)23)7-9-2-4-10(15)5-3-9/h2-6,8H,7H2,1H3,(H,16,22)(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	385	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060668 (CHEMBL3394694) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(CCCC(F)(F)F)c1=O Show InChI InChI=1S/C17H17F3N6O2S/c1-11-13(14(27)22-9-12-4-2-6-21-8-12)29-15(24-11)25-10-23-26(16(25)28)7-3-5-17(18,19)20/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,22,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060650 (CHEMBL3394685) Show SMILES Cc1nc(sc1C(=O)NCc1cnn(C)c1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C19H18FN7O2S/c1-12-16(17(28)21-7-14-8-22-25(2)9-14)30-18(24-12)26-11-23-27(19(26)29)10-13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10H2,1-2H3,(H,21,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	477	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060649 (CHEMBL3394686) Show SMILES Cc1nc(sc1C(=O)NCc1cn(C)cn1)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C19H18FN7O2S/c1-12-16(17(28)21-7-15-9-25(2)10-22-15)30-18(24-12)26-11-23-27(19(26)29)8-13-3-5-14(20)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,21,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	504	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060664 (CHEMBL3394698) Show SMILES Fc1ccc(Cn2ncn(-c3cc([nH]n3)C(=O)NCc3ccccn3)c2=O)cc1 Show InChI InChI=1S/C19H16FN7O2/c20-14-6-4-13(5-7-14)11-27-19(29)26(12-23-27)17-9-16(24-25-17)18(28)22-10-15-3-1-2-8-21-15/h1-9,12H,10-11H2,(H,22,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50060648 (CHEMBL3394687) Show SMILES Cc1nc(sc1C(N)=O)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C14H12FN5O2S/c1-8-11(12(16)21)23-13(18-8)19-7-17-20(14(19)22)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H2,16,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	945	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50060675 (CHEMBL3394677) Show SMILES Cc1nc(sc1C(=O)NCc1ccc(nc1)C(F)(F)F)-n1cnn(Cc2ccc(F)cc2)c1=O Show InChI InChI=1S/C21H16F4N6O2S/c1-12-17(18(32)27-9-14-4-7-16(26-8-14)21(23,24)25)34-19(29-12)30-11-28-31(20(30)33)10-13-2-5-15(22)6-3-13/h2-8,11H,9-10H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				Bioorg Med Chem 23: 455-65 (2015) Article DOI: 10.1016/j.bmc.2014.12.014 BindingDB Entry DOI: 10.7270/Q2GM890X
					More data for this Ligand-Target Pair

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