Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'pokrovskaia' and Initial = 'n'   

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)	BDBM50445795 (CHEMBL3104818) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(Cc2ccc(F)cc2)C1=O Show InChI InChI=1S/C21H20FN5O2S/c1-14-18(19(28)24-12-16-3-2-8-23-11-16)30-20(25-14)27-10-9-26(21(27)29)13-15-4-6-17(22)7-5-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					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
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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445794 (CHEMBL3104819) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CCCc2ccccc2)C1=O Show InChI InChI=1S/C23H25N5O2S/c1-17-20(21(29)25-16-19-9-5-11-24-15-19)31-22(26-17)28-14-13-27(23(28)30)12-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15H,6,10,12-14,16H2,1H3,(H,25,29)	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 [1-14C]stearic acid as substrate				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					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))	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)	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))	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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445795 (CHEMBL3104818) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(Cc2ccc(F)cc2)C1=O Show InChI InChI=1S/C21H20FN5O2S/c1-14-18(19(28)24-12-16-3-2-8-23-11-16)30-20(25-14)27-10-9-26(21(27)29)13-15-4-6-17(22)7-5-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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 [1-14C]stearic acid as substrate				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445786 (CHEMBL3104605) Show SMILES Cc1nc(sc1C(=O)NCc1ncco1)N1CCN(Cc2ccc(F)cc2)C1=O Show InChI InChI=1S/C19H18FN5O3S/c1-12-16(17(26)22-10-15-21-6-9-28-15)29-18(23-12)25-8-7-24(19(25)27)11-13-2-4-14(20)5-3-13/h2-6,9H,7-8,10-11H2,1H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445731 (CHEMBL3104392) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCCC2CC2)cc1=O Show InChI InChI=1S/C22H23N3O3S/c1-15-20(21(27)23-14-17-5-3-2-4-6-17)29-22(24-15)25-11-9-18(13-19(25)26)28-12-10-16-7-8-16/h2-6,9,11,13,16H,7-8,10,12,14H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt antibodypedia 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 human HepG2 cells using radiolabeled stearic acid as substrate				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445788 (CHEMBL3104825) Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)N1CCN(Cc2ccc(F)cc2)C1=O Show InChI InChI=1S/C21H20FN5O2S/c1-14-18(19(28)24-12-17-4-2-3-9-23-17)30-20(25-14)27-11-10-26(21(27)29)13-15-5-7-16(22)8-6-15/h2-9H,10-13H2,1H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445732 (CHEMBL3104401) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H15N3O3S/c1-11-15(16(23)18-10-12-5-3-2-4-6-12)24-17(19-11)20-8-7-13(21)9-14(20)22/h2-9,21H,10H2,1H3,(H,18,23)	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 mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					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)	BDBM50445734 (CHEMBL3104405) Show SMILES Cc1nc(sc1C(=O)NCc1ccc(F)cc1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-2-4-12(18)5-3-11)25-17(20-10)21-7-6-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24)	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 mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					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)	BDBM50445785 (CHEMBL3104606) Show SMILES Cc1nc(sc1C(N)=O)N1CCN(Cc2ccc(F)cc2)C1=O Show InChI InChI=1S/C15H15FN4O2S/c1-9-12(13(17)21)23-14(18-9)20-7-6-19(15(20)22)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H2,17,21)	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 mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					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)	BDBM50445794 (CHEMBL3104819) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CCCc2ccccc2)C1=O Show InChI InChI=1S/C23H25N5O2S/c1-17-20(21(29)25-16-19-9-5-11-24-15-19)31-22(26-17)28-14-13-27(23(28)30)12-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15H,6,10,12-14,16H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					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)	BDBM50445728 (CHEMBL3104407) Show SMILES Cc1nc(sc1C(=O)NCc1ccc(F)c(F)c1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H13F2N3O3S/c1-9-15(16(25)20-8-10-2-3-12(18)13(19)6-10)26-17(21-9)22-5-4-11(23)7-14(22)24/h2-7,23H,8H2,1H3,(H,20,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					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)	BDBM50445726 (CHEMBL3104390) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(CCc2ccccc2)cc1=O Show InChI InChI=1S/C25H23N3O2S/c1-18-23(24(30)26-17-21-10-6-3-7-11-21)31-25(27-18)28-15-14-20(16-22(28)29)13-12-19-8-4-2-5-9-19/h2-11,14-16H,12-13,17H2,1H3,(H,26,30)	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 mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445738 (CHEMBL3104406) Show SMILES Cc1nc(sc1C(=O)NCc1cccc(F)c1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-3-2-4-12(18)7-11)25-17(20-10)21-6-5-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24)	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 mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					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)	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)	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)	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)	BDBM50445737 (CHEMBL3104395) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(cc1=O)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2S/c1-11-15(16(26)22-10-12-5-3-2-4-6-12)27-17(23-11)24-8-7-13(9-14(24)25)18(19,20)21/h2-9H,10H2,1H3,(H,22,26)	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 mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					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)	BDBM50445725 (CHEMBL3104394) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCc2cscn2)cc1=O Show InChI InChI=1S/C21H18N4O3S2/c1-14-19(20(27)22-10-15-5-3-2-4-6-15)30-21(24-14)25-8-7-17(9-18(25)26)28-11-16-12-29-13-23-16/h2-9,12-13H,10-11H2,1H3,(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 mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445736 (CHEMBL3104389) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C24H21N3O3S/c1-17-22(23(29)25-15-18-8-4-2-5-9-18)31-24(26-17)27-13-12-20(14-21(27)28)30-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445736 (CHEMBL3104389) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCc2ccccc2)cc1=O Show InChI InChI=1S/C24H21N3O3S/c1-17-22(23(29)25-15-18-8-4-2-5-9-18)31-24(26-17)27-13-12-20(14-21(27)28)30-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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 radiolabeled stearic acid as substrate				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					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)	BDBM50445778 (CHEMBL3104812) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1nnc(Cc2ccccc2)[nH]1 Show InChI InChI=1S/C21H19N5OS/c1-14-18(20(27)22-13-16-10-6-3-7-11-16)28-21(23-14)19-24-17(25-26-19)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,27)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445783 (CHEMBL3104608) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)N1CCN(Cc2ccccc2)C1=O Show InChI InChI=1S/C22H22N4O2S/c1-16-19(20(27)23-14-17-8-4-2-5-9-17)29-21(24-16)26-13-12-25(22(26)28)15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445735 (CHEMBL3104393) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCC2CCCO2)cc1=O Show InChI InChI=1S/C22H23N3O4S/c1-15-20(21(27)23-13-16-6-3-2-4-7-16)30-22(24-15)25-10-9-17(12-19(25)26)29-14-18-8-5-11-28-18/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445734 (CHEMBL3104405) Show SMILES Cc1nc(sc1C(=O)NCc1ccc(F)cc1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-2-4-12(18)5-3-11)25-17(20-10)21-7-6-13(22)8-14(21)23/h2-8,22H,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	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 human HepG2 cells using radiolabeled stearic acid as substrate				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445733 (CHEMBL3104396) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(C)cc1=O Show InChI InChI=1S/C18H17N3O2S/c1-12-8-9-21(15(22)10-12)18-20-13(2)16(24-18)17(23)19-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445780 (CHEMBL3104613) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C21H19N5OS/c1-15-19(20(27)22-12-16-8-4-2-5-9-16)28-21(23-15)18-14-26(25-24-18)13-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445732 (CHEMBL3104401) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(O)cc1=O Show InChI InChI=1S/C17H15N3O3S/c1-11-15(16(23)18-10-12-5-3-2-4-6-12)24-17(19-11)20-8-7-13(21)9-14(20)22/h2-9,21H,10H2,1H3,(H,18,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	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 radiolabeled stearic acid as substrate				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					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)	BDBM50445731 (CHEMBL3104392) Show SMILES Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCCC2CC2)cc1=O Show InChI InChI=1S/C22H23N3O3S/c1-15-20(21(27)23-14-17-5-3-2-4-6-17)29-22(24-15)25-11-9-18(13-19(25)26)28-12-10-16-7-8-16/h2-6,9,11,13,16H,7-8,10,12,14H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of SCD1 in mouse liver microsomes				Bioorg Med Chem Lett 24: 526-31 (2014) Article DOI: 10.1016/j.bmcl.2013.12.035 BindingDB Entry DOI: 10.7270/Q20003J1
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50445788 (CHEMBL3104825) Show SMILES Cc1nc(sc1C(=O)NCc1ccccn1)N1CCN(Cc2ccc(F)cc2)C1=O Show InChI InChI=1S/C21H20FN5O2S/c1-14-18(19(28)24-12-17-4-2-3-9-23-17)30-20(25-14)27-11-10-26(21(27)29)13-15-5-7-16(22)8-6-15/h2-9H,10-13H2,1H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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 [1-14C]stearic acid as substrate				Bioorg Med Chem Lett 24: 520-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.036 BindingDB Entry DOI: 10.7270/Q2QJ7JRS
					More data for this Ligand-Target Pair

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