Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'kodumuru' and Initial = 'v'   

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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424785 (CHEMBL2315102) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClF3N5O2/c24-15-5-7-16(8-6-15)28-21(33)19-9-10-20(30-29-19)31-11-13-32(14-12-31)22(34)17-3-1-2-4-18(17)23(25,26)27/h1-10H,11-14H2,(H,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
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)	BDBM50424783 (CHEMBL2315104) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)19-9-5-4-8-18(19)23(34)32-14-12-31(13-15-32)21-11-10-20(29-30-21)22(33)28-16-17-6-2-1-3-7-17/h1-11H,12-16H2,(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424785 (CHEMBL2315102) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClF3N5O2/c24-15-5-7-16(8-6-15)28-21(33)19-9-10-20(30-29-19)31-11-13-32(14-12-31)22(34)17-3-1-2-4-18(17)23(25,26)27/h1-10H,11-14H2,(H,28,33)	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...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424789 (CHEMBL2315096) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCCCC1CC1 Show InChI InChI=1S/C24H28F3N5O2/c25-24(26,27)19-7-2-1-6-18(19)23(34)32-15-13-31(14-16-32)21-11-10-20(29-30-21)22(33)28-12-4-3-5-17-8-9-17/h1-2,6-7,10-11,17H,3-5,8-9,12-16H2,(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424790 (CHEMBL2315095) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCCC1CC1 Show InChI InChI=1S/C23H26F3N5O2/c24-23(25,26)18-6-2-1-5-17(18)22(33)31-14-12-30(13-15-31)20-10-9-19(28-29-20)21(32)27-11-3-4-16-7-8-16/h1-2,5-6,9-10,16H,3-4,7-8,11-15H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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 [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					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)	BDBM50424823 (CHEMBL2315110) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)Nc1nc2ccccc2[nH]1 Show InChI InChI=1S/C24H20F3N7O2/c25-24(26,27)16-6-2-1-5-15(16)22(36)34-13-11-33(12-14-34)20-10-9-19(31-32-20)21(35)30-23-28-17-7-3-4-8-18(17)29-23/h1-10H,11-14H2,(H2,28,29,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424800 (CHEMBL2315132) Show SMILES FC(F)(F)c1ccc(Cl)cc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C22H23ClF3N5O2/c23-15-3-4-17(22(24,25)26)16(13-15)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)	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...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424802 (CHEMBL2315130) Show SMILES Fc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1)C(F)(F)F Show InChI InChI=1S/C22H23F4N5O2/c23-15-3-4-17(22(24,25)26)16(13-15)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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 [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					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)	BDBM50424802 (CHEMBL2315130) Show SMILES Fc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1)C(F)(F)F Show InChI InChI=1S/C22H23F4N5O2/c23-15-3-4-17(22(24,25)26)16(13-15)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304941 ((R)-N-(2-hydroxy-2-phenylethyl)-6-(4-(2-(trifluoro...) Show SMILES O[C@@H](CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11,21,34H,12-16H2,(H,29,35)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia 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 human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424818 (CHEMBL2315115) Show SMILES Cc1ccc(CNC(=O)c2ccc(nn2)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)o1 Show InChI InChI=1S/C23H22F3N5O3/c1-15-6-7-16(34-15)14-27-21(32)19-8-9-20(29-28-19)30-10-12-31(13-11-30)22(33)17-4-2-3-5-18(17)23(24,25)26/h2-9H,10-14H2,1H3,(H,27,32)	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...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					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)	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)	BDBM50424786 (CHEMBL2315101) Show SMILES CCCCCCCNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C24H30F3N5O2/c1-2-3-4-5-8-13-28-22(33)20-11-12-21(30-29-20)31-14-16-32(17-15-31)23(34)18-9-6-7-10-19(18)24(25,26)27/h6-7,9-12H,2-5,8,13-17H2,1H3,(H,28,33)	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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304937 (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 antibodypedia 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 human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424800 (CHEMBL2315132) Show SMILES FC(F)(F)c1ccc(Cl)cc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C22H23ClF3N5O2/c23-15-3-4-17(22(24,25)26)16(13-15)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia 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 human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304937 (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	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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304941 ((R)-N-(2-hydroxy-2-phenylethyl)-6-(4-(2-(trifluoro...) Show SMILES O[C@@H](CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11,21,34H,12-16H2,(H,29,35)/t21-/m0/s1	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...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424787 (CHEMBL2315100) Show SMILES CCCCCCNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H28F3N5O2/c1-2-3-4-7-12-27-21(32)19-10-11-20(29-28-19)30-13-15-31(16-14-30)22(33)17-8-5-6-9-18(17)23(24,25)26/h5-6,8-11H,2-4,7,12-16H2,1H3,(H,27,32)	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...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424794 (CHEMBL2315412) Show SMILES Fc1ccc(C(=O)N2CCN(CC2)c2ccc(nn2)C(=O)NCCC2CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C22H23F4N5O2/c23-15-3-4-16(17(13-15)22(24,25)26)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)	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...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424826 (CHEMBL2315107) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCC(=O)c1ccccc1 Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11H,12-16H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt antibodypedia 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 human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424794 (CHEMBL2315412) Show SMILES Fc1ccc(C(=O)N2CCN(CC2)c2ccc(nn2)C(=O)NCCC2CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C22H23F4N5O2/c23-15-3-4-16(17(13-15)22(24,25)26)21(33)31-11-9-30(10-12-31)19-6-5-18(28-29-19)20(32)27-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia 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 human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424787 (CHEMBL2315100) Show SMILES CCCCCCNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H28F3N5O2/c1-2-3-4-7-12-27-21(32)19-10-11-20(29-28-19)30-13-15-31(16-14-30)22(33)17-8-5-6-9-18(17)23(24,25)26/h5-6,8-11H,2-4,7,12-16H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt antibodypedia 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 human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424788 (CHEMBL2315099) Show SMILES CCCCCNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N5O2/c1-2-3-6-11-26-20(31)18-9-10-19(28-27-18)29-12-14-30(15-13-29)21(32)16-7-4-5-8-17(16)22(23,24)25/h4-5,7-10H,2-3,6,11-15H2,1H3,(H,26,31)	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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304942 ((S)-N-(2-hydroxy-2-phenylethyl)-6-(4-(2-(trifluoro...) Show SMILES O[C@H](CNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11,21,34H,12-16H2,(H,29,35)/t21-/m1/s1	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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50301062 (CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)17-4-2-1-3-16(17)21(32)30-13-11-29(12-14-30)19-8-7-18(27-28-19)20(31)26-10-9-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2,(H,26,31)	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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50371042 (CHEMBL229212) Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N5O2/c1-15(2)9-10-26-20(31)18-7-8-19(28-27-18)29-11-13-30(14-12-29)21(32)16-5-3-4-6-17(16)22(23,24)25/h3-8,15H,9-14H2,1-2H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt 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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424788 (CHEMBL2315099) Show SMILES CCCCCNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N5O2/c1-2-3-6-11-26-20(31)18-9-10-19(28-27-18)29-12-14-30(15-13-29)21(32)16-7-4-5-8-17(16)22(23,24)25/h4-5,7-10H,2-3,6,11-15H2,1H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt antibodypedia 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 human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					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)	BDBM50424817 (CHEMBL2315116) Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc(nn2)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)o1 Show InChI InChI=1S/C23H19F6N5O3/c24-22(25,26)16-4-2-1-3-15(16)21(36)34-11-9-33(10-12-34)19-8-6-17(31-32-19)20(35)30-13-14-5-7-18(37-14)23(27,28)29/h1-8H,9-13H2,(H,30,35)	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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424821 (CHEMBL2315112) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1nccs1 Show InChI InChI=1S/C21H19F3N6O2S/c22-21(23,24)15-4-2-1-3-14(15)20(32)30-10-8-29(9-11-30)17-6-5-16(27-28-17)19(31)26-13-18-25-7-12-33-18/h1-7,12H,8-11,13H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424822 (CHEMBL2315111) Show SMILES Cc1cnc(CNC(=O)c2ccc(nn2)N2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)cn1 Show InChI InChI=1S/C23H22F3N7O2/c1-15-12-28-16(13-27-15)14-29-21(34)19-6-7-20(31-30-19)32-8-10-33(11-9-32)22(35)17-4-2-3-5-18(17)23(24,25)26/h2-7,12-13H,8-11,14H2,1H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					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
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424797 (CHEMBL2315135) Show SMILES Clc1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C21H23Cl2N5O2/c22-15-3-4-17(23)16(13-15)21(30)28-11-9-27(10-12-28)19-6-5-18(25-26-19)20(29)24-8-7-14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,24,29)	PDB KEGG UniProtKB/SwissProt 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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424790 (CHEMBL2315095) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCCC1CC1 Show InChI InChI=1S/C23H26F3N5O2/c24-23(25,26)18-6-2-1-5-17(18)22(33)31-14-12-30(13-15-31)20-10-9-19(28-29-20)21(32)27-11-3-4-16-7-8-16/h1-2,5-6,9-10,16H,3-4,7-8,11-15H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt 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 ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50371042 (CHEMBL229212) Show SMILES CC(C)CCNC(=O)c1ccc(nn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N5O2/c1-15(2)9-10-26-20(31)18-7-8-19(28-27-18)29-11-13-30(14-12-29)21(32)16-5-3-4-6-17(16)22(23,24)25/h3-8,15H,9-14H2,1-2H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50301062 (CHEMBL572098 | N-(2-cyclopropylethyl)-6-(4-(2-(tri...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1 Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)17-4-2-1-3-16(17)21(32)30-13-11-29(12-14-30)19-8-7-18(27-28-19)20(31)26-10-9-15-5-6-15/h1-4,7-8,15H,5-6,9-14H2,(H,26,31)	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				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50424783 (CHEMBL2315104) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)19-9-5-4-8-18(19)23(34)32-14-12-31(13-15-32)21-11-10-20(29-30-21)22(33)28-16-17-6-2-1-3-7-17/h1-11H,12-16H2,(H,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50424826 (CHEMBL2315107) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCC(=O)c1ccccc1 Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)19-9-5-4-8-18(19)24(36)33-14-12-32(13-15-33)22-11-10-20(30-31-22)23(35)29-16-21(34)17-6-2-1-3-7-17/h1-11H,12-16H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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...				J Med Chem 56: 568-83 (2013) Article DOI: 10.1021/jm301661h BindingDB Entry DOI: 10.7270/Q25Q4XDG
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50445796 (CHEMBL3104817) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(Cc2ccccc2)C1=O Show InChI InChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-17-8-5-9-22-12-17)29-20(24-15)26-11-10-25(21(26)28)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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)	BDBM50445793 (CHEMBL3104820) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CC2CCCCC2)C1=O Show InChI InChI=1S/C21H27N5O2S/c1-15-18(19(27)23-13-17-8-5-9-22-12-17)29-20(24-15)26-11-10-25(21(26)28)14-16-6-3-2-4-7-16/h5,8-9,12,16H,2-4,6-7,10-11,13-14H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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)	BDBM50445790 (CHEMBL3104823) Show SMILES CCCCN1CCN(C1=O)c1nc(C)c(s1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C18H23N5O2S/c1-3-4-8-22-9-10-23(18(22)25)17-21-13(2)15(26-17)16(24)20-12-14-6-5-7-19-11-14/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,20,24)	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 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)	BDBM50445791 (CHEMBL3104822) Show SMILES Cc1nc(sc1C(=O)NCc1cccnc1)N1CCN(CC2CC2)C1=O Show InChI InChI=1S/C18H21N5O2S/c1-12-15(16(24)20-10-14-3-2-6-19-9-14)26-17(21-12)23-8-7-22(18(23)25)11-13-4-5-13/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	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

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