Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50031405   

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 (Rattus norvegicus (Rat))	BDBM50312702 ((3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-y...) Show SMILES OCc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O3S/c19-18(20,21)12-3-1-2-4-13(12)27-11-5-7-25(8-6-11)17-22-9-14(29-17)16-23-15(10-26)28-24-16/h1-4,9,11,26H,5-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312702 ((3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-y...) Show SMILES OCc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O3S/c19-18(20,21)12-3-1-2-4-13(12)27-11-5-7-25(8-6-11)17-22-9-14(29-17)16-23-15(10-26)28-24-16/h1-4,9,11,26H,5-8,10H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312688 (5-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1...) Show SMILES NC(=O)c1nnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H15F3N4O2S/c16-15(17,18)10-3-1-2-4-11(10)24-9-5-7-22(8-6-9)14-21-20-13(25-14)12(19)23/h1-4,9H,5-8H2,(H2,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312684 (2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)th...) Show SMILES NC(=O)c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C16H16F3N3O2S/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)15-21-9-13(25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312683 (2-(4-(2-(trifluoromethyl)phenylthio)piperidin-1-yl...) Show SMILES NC(=O)c1cnc(s1)N1CCC(CC1)Sc1ccccc1C(F)(F)F Show InChI InChI=1S/C16H16F3N3OS2/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)15-21-9-13(25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312700 (3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)-c1ncon1 Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-22-10-25-23-15/h1-4,9-11H,5-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312688 (5-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1...) Show SMILES NC(=O)c1nnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H15F3N4O2S/c16-15(17,18)10-3-1-2-4-11(10)24-9-5-7-22(8-6-9)14-21-20-13(25-14)12(19)23/h1-4,9H,5-8H2,(H2,19,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312692 (3-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)is...) Show SMILES NC(=O)c1cc(no1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C16H16F3N3O3/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)14-9-13(15(20)23)25-21-14/h1-4,9-10H,5-8H2,(H2,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312684 (2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)th...) Show SMILES NC(=O)c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C16H16F3N3O2S/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)15-21-9-13(25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312685 ((S)-2-(3-(2-(trifluoromethyl)phenoxy)pyrrolidin-1-...) Show SMILES NC(=O)c1cnc(s1)N1CC[C@@H](C1)Oc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-1-2-4-11(10)23-9-5-6-21(8-9)14-20-7-12(24-14)13(19)22/h1-4,7,9H,5-6,8H2,(H2,19,22)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312692 (3-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)is...) Show SMILES NC(=O)c1cc(no1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C16H16F3N3O3/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)14-9-13(15(20)23)25-21-14/h1-4,9-10H,5-8H2,(H2,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312698 (2-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)-c1ncco1 Show InChI InChI=1S/C18H16F3N3O2S/c19-18(20,21)13-3-1-2-4-14(13)26-12-5-8-24(9-6-12)17-23-11-15(27-17)16-22-7-10-25-16/h1-4,7,10-12H,5-6,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312701 (5-methyl-3-(2-(4-(2-(trifluoromethyl)phenoxy)piper...) Show SMILES Cc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312700 (3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)-c1ncon1 Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-22-10-25-23-15/h1-4,9-11H,5-8H2	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312683 (2-(4-(2-(trifluoromethyl)phenylthio)piperidin-1-yl...) Show SMILES NC(=O)c1cnc(s1)N1CCC(CC1)Sc1ccccc1C(F)(F)F Show InChI InChI=1S/C16H16F3N3OS2/c17-16(18,19)11-3-1-2-4-12(11)24-10-5-7-22(8-6-10)15-21-9-13(25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312699 (2-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)-c1nnco1 Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-23-22-10-25-15/h1-4,9-11H,5-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312701 (5-methyl-3-(2-(4-(2-(trifluoromethyl)phenoxy)piper...) Show SMILES Cc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312693 (2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)th...) Show SMILES NS(=O)(=O)c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H16F3N3O3S2/c16-15(17,18)11-3-1-2-4-12(11)24-10-5-7-21(8-6-10)14-20-9-13(25-14)26(19,22)23/h1-4,9-10H,5-8H2,(H2,19,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312698 (2-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)-c1ncco1 Show InChI InChI=1S/C18H16F3N3O2S/c19-18(20,21)13-3-1-2-4-14(13)26-12-5-8-24(9-6-12)17-23-11-15(27-17)16-22-7-10-25-16/h1-4,7,10-12H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312699 (2-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)-c1nnco1 Show InChI InChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-23-22-10-25-15/h1-4,9-11H,5-8H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312682 (2-(4-(2-(trifluoromethyl)benzyl)piperazin-1-yl)thi...) Show SMILES NC(=O)c1cnc(s1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 Show InChI InChI=1S/C16H17F3N4OS/c17-16(18,19)12-4-2-1-3-11(12)10-22-5-7-23(8-6-22)15-21-9-13(25-15)14(20)24/h1-4,9H,5-8,10H2,(H2,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312689 (5-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1...) Show SMILES NC(=O)c1nnc(o1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H15F3N4O3/c16-15(17,18)10-3-1-2-4-11(10)24-9-5-7-22(8-6-9)14-21-20-13(25-14)12(19)23/h1-4,9H,5-8H2,(H2,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312685 ((S)-2-(3-(2-(trifluoromethyl)phenoxy)pyrrolidin-1-...) Show SMILES NC(=O)c1cnc(s1)N1CC[C@@H](C1)Oc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-1-2-4-11(10)23-9-5-6-21(8-9)14-20-7-12(24-14)13(19)22/h1-4,7,9H,5-6,8H2,(H2,19,22)/t9-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50301057 (2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...) Show SMILES NC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312691 (5-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1...) Show SMILES NC(=O)c1nnc([nH]1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H16F3N5O2/c16-15(17,18)10-3-1-2-4-11(10)25-9-5-7-23(8-6-9)14-20-13(12(19)24)21-22-14/h1-4,9H,5-8H2,(H2,19,24)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312695 (1-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES NC(=O)Nc1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C16H17F3N4O2S/c17-16(18,19)11-3-1-2-4-12(11)25-10-5-7-23(8-6-10)15-21-9-13(26-15)22-14(20)24/h1-4,9-10H,5-8H2,(H3,20,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312682 (2-(4-(2-(trifluoromethyl)benzyl)piperazin-1-yl)thi...) Show SMILES NC(=O)c1cnc(s1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 Show InChI InChI=1S/C16H17F3N4OS/c17-16(18,19)12-4-2-1-3-11(12)10-22-5-7-23(8-6-22)15-21-9-13(25-15)14(20)24/h1-4,9H,5-8,10H2,(H2,20,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312694 (1-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)N1CCCC1=O Show InChI InChI=1S/C19H20F3N3O2S/c20-19(21,22)14-4-1-2-5-15(14)27-13-7-10-24(11-8-13)18-23-12-17(28-18)25-9-3-6-16(25)26/h1-2,4-5,12-13H,3,6-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312694 (1-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ncc(s1)N1CCCC1=O Show InChI InChI=1S/C19H20F3N3O2S/c20-19(21,22)14-4-1-2-5-15(14)27-13-7-10-24(11-8-13)18-23-12-17(28-18)25-9-3-6-16(25)26/h1-2,4-5,12-13H,3,6-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312689 (5-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1...) Show SMILES NC(=O)c1nnc(o1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H15F3N4O3/c16-15(17,18)10-3-1-2-4-11(10)24-9-5-7-22(8-6-9)14-21-20-13(25-14)12(19)23/h1-4,9H,5-8H2,(H2,19,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50301057 (2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...) Show SMILES NC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	254	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312687 (2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)th...) Show SMILES NC(=O)c1csc(n1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C16H16F3N3O2S/c17-16(18,19)11-3-1-2-4-13(11)24-10-5-7-22(8-6-10)15-21-12(9-25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312696 (CHEMBL1081826 | methyl 2-(4-(2-(trifluoromethyl)ph...) Show SMILES COC(=O)Nc1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3S/c1-25-16(24)22-14-10-21-15(27-14)23-8-6-11(7-9-23)26-13-5-3-2-4-12(13)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312697 (2-methyl-5-(2-(4-(2-(trifluoromethyl)phenoxy)piper...) Show SMILES Cc1nnc(s1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4OS2/c1-11-23-24-16(27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312696 (CHEMBL1081826 | methyl 2-(4-(2-(trifluoromethyl)ph...) Show SMILES COC(=O)Nc1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3S/c1-25-16(24)22-14-10-21-15(27-14)23-8-6-11(7-9-23)26-13-5-3-2-4-12(13)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	775	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312693 (2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)th...) Show SMILES NS(=O)(=O)c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H16F3N3O3S2/c16-15(17,18)11-3-1-2-4-12(11)24-10-5-7-21(8-6-10)14-20-9-13(25-14)26(19,22)23/h1-4,9-10H,5-8H2,(H2,19,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312690 (3-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1...) Show SMILES NC(=O)c1nc(no1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H15F3N4O3/c16-15(17,18)10-3-1-2-4-11(10)24-9-5-7-22(8-6-9)14-20-13(12(19)23)25-21-14/h1-4,9H,5-8H2,(H2,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50312701 (5-methyl-3-(2-(4-(2-(trifluoromethyl)phenoxy)piper...) Show SMILES Cc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of delta5 desaturase in human HepG2 cells assessed as [14C]eicosatrienoic acid to [14C]arachidonic acid conversion pretreated 15 mins befo...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50312701 (5-methyl-3-(2-(4-(2-(trifluoromethyl)phenoxy)piper...) Show SMILES Cc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of delta6 desaturase in human HepG2 cells assessed as [14C]linolenic acid to [14C]eicosatetraenoic acid conversion pretreated 15 mins befo...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312691 (5-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)-1...) Show SMILES NC(=O)c1nnc([nH]1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C15H16F3N5O2/c16-15(17,18)10-3-1-2-4-11(10)25-9-5-7-23(8-6-9)14-20-13(12(19)24)21-22-14/h1-4,9H,5-8H2,(H2,19,24)(H,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312681 (2-(4-(2-(trifluoromethyl)phenylsulfonyl)piperazin-...) Show SMILES NC(=O)c1cnc(s1)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C15H15F3N4O3S2/c16-15(17,18)10-3-1-2-4-12(10)27(24,25)22-7-5-21(6-8-22)14-20-9-11(26-14)13(19)23/h1-4,9H,5-8H2,(H2,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50312687 (2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl)th...) Show SMILES NC(=O)c1csc(n1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C16H16F3N3O2S/c17-16(18,19)11-3-1-2-4-13(11)24-10-5-7-22(8-6-10)15-21-12(9-25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50312686 ((R)-2-(3-(2-(trifluoromethyl)phenoxy)pyrrolidin-1-...) Show SMILES NC(=O)c1cnc(s1)N1CC[C@H](C1)Oc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-1-2-4-11(10)23-9-5-6-21(8-9)14-20-7-12(24-14)13(19)22/h1-4,7,9H,5-6,8H2,(H2,19,22)/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair