Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50030994   

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)	BDBM50304943 (CHEMBL590374 | N-(2-hydroxy-2-phenylethyl)-6-(4-(2...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H25F3N4O3/c27-26(28,29)20-9-5-4-8-19(20)24(35)18-12-14-33(15-13-18)23-11-10-21(31-32-23)25(36)30-16-22(34)17-6-2-1-3-7-17/h1-11,18,22,34H,12-16H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304955 (CHEMBL590108 | N-(2-hydroxy-2-(thiophen-3-yl)ethyl...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccsc1 Show InChI InChI=1S/C24H26N4O3S/c1-16-4-2-3-5-19(16)23(30)17-8-11-28(12-9-17)22-7-6-20(26-27-22)24(31)25-14-21(29)18-10-13-32-15-18/h2-7,10,13,15,17,21,29H,8-9,11-12,14H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304950 (CHEMBL589404 | N-(2-(3-fluorophenyl)-2-hydroxyethy...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccc(F)c1 Show InChI InChI=1S/C26H27FN4O3/c1-17-5-2-3-8-21(17)25(33)18-11-13-31(14-12-18)24-10-9-22(29-30-24)26(34)28-16-23(32)19-6-4-7-20(27)15-19/h2-10,15,18,23,32H,11-14,16H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304946 (CHEMBL600052 | N-(2-hydroxy-2-phenylethyl)-6-(4-(3...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1OC(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H25F3N4O4/c27-26(28,29)37-22-9-5-4-8-19(22)24(35)18-12-14-33(15-13-18)23-11-10-20(31-32-23)25(36)30-16-21(34)17-6-2-1-3-7-17/h1-11,18,21,34H,12-16H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304951 (CHEMBL591781 | N-(2-(4-fluorophenyl)-2-hydroxyethy...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccc(F)cc1 Show InChI InChI=1S/C26H27FN4O3/c1-17-4-2-3-5-21(17)25(33)19-12-14-31(15-13-19)24-11-10-22(29-30-24)26(34)28-16-23(32)18-6-8-20(27)9-7-18/h2-11,19,23,32H,12-16H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					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	6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304950 (CHEMBL589404 | N-(2-(3-fluorophenyl)-2-hydroxyethy...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccc(F)c1 Show InChI InChI=1S/C26H27FN4O3/c1-17-5-2-3-8-21(17)25(33)18-11-13-31(14-12-18)24-10-9-22(29-30-24)26(34)28-16-23(32)19-6-4-7-20(27)15-19/h2-10,15,18,23,32H,11-14,16H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304943 (CHEMBL590374 | N-(2-hydroxy-2-phenylethyl)-6-(4-(2...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H25F3N4O3/c27-26(28,29)20-9-5-4-8-19(20)24(35)18-12-14-33(15-13-18)23-11-10-21(31-32-23)25(36)30-16-22(34)17-6-2-1-3-7-17/h1-11,18,22,34H,12-16H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304944 (CHEMBL595474 | N-(2-hydroxy-2-phenylethyl)-6-(4-(2...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccc1 Show InChI InChI=1S/C26H28N4O3/c1-18-7-5-6-10-21(18)25(32)20-13-15-30(16-14-20)24-12-11-22(28-29-24)26(33)27-17-23(31)19-8-3-2-4-9-19/h2-12,20,23,31H,13-17H2,1H3,(H,27,33)	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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304956 (CHEMBL592754 | N-(2-hydroxy-2-(thiophen-2-yl)ethyl...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccs1 Show InChI InChI=1S/C24H26N4O3S/c1-16-5-2-3-6-18(16)23(30)17-10-12-28(13-11-17)22-9-8-19(26-27-22)24(31)25-15-20(29)21-7-4-14-32-21/h2-9,14,17,20,29H,10-13,15H2,1H3,(H,25,31)	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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304951 (CHEMBL591781 | N-(2-(4-fluorophenyl)-2-hydroxyethy...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccc(F)cc1 Show InChI InChI=1S/C26H27FN4O3/c1-17-4-2-3-5-21(17)25(33)19-12-14-31(15-13-19)24-11-10-22(29-30-24)26(34)28-16-23(32)18-6-8-20(27)9-7-18/h2-11,19,23,32H,12-16H2,1H3,(H,28,34)	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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304955 (CHEMBL590108 | N-(2-hydroxy-2-(thiophen-3-yl)ethyl...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccsc1 Show InChI InChI=1S/C24H26N4O3S/c1-16-4-2-3-5-19(16)23(30)17-8-11-28(12-9-17)22-7-6-20(26-27-22)24(31)25-14-21(29)18-10-13-32-15-18/h2-7,10,13,15,17,21,29H,8-9,11-12,14H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					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	9	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304949 (CHEMBL591563 | N-(2-(2-fluorophenyl)-2-hydroxyethy...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccc1F Show InChI InChI=1S/C26H27FN4O3/c1-17-6-2-3-7-19(17)25(33)18-12-14-31(15-13-18)24-11-10-22(29-30-24)26(34)28-16-23(32)20-8-4-5-9-21(20)27/h2-11,18,23,32H,12-16H2,1H3,(H,28,34)	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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304946 (CHEMBL600052 | N-(2-hydroxy-2-phenylethyl)-6-(4-(3...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1OC(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H25F3N4O4/c27-26(28,29)37-22-9-5-4-8-19(22)24(35)18-12-14-33(15-13-18)23-11-10-20(31-32-23)25(36)30-16-21(34)17-6-2-1-3-7-17/h1-11,18,21,34H,12-16H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304950 (CHEMBL589404 | N-(2-(3-fluorophenyl)-2-hydroxyethy...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccc(F)c1 Show InChI InChI=1S/C26H27FN4O3/c1-17-5-2-3-8-21(17)25(33)18-11-13-31(14-12-18)24-10-9-22(29-30-24)26(34)28-16-23(32)19-6-4-7-20(27)15-19/h2-10,15,18,23,32H,11-14,16H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304943 (CHEMBL590374 | N-(2-hydroxy-2-phenylethyl)-6-(4-(2...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H25F3N4O3/c27-26(28,29)20-9-5-4-8-19(20)24(35)18-12-14-33(15-13-18)23-11-10-21(31-32-23)25(36)30-16-22(34)17-6-2-1-3-7-17/h1-11,18,22,34H,12-16H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304944 (CHEMBL595474 | N-(2-hydroxy-2-phenylethyl)-6-(4-(2...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccc1 Show InChI InChI=1S/C26H28N4O3/c1-18-7-5-6-10-21(18)25(32)20-13-15-30(16-14-20)24-12-11-22(28-29-24)26(33)27-17-23(31)19-8-3-2-4-9-19/h2-12,20,23,31H,13-17H2,1H3,(H,27,33)	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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304955 (CHEMBL590108 | N-(2-hydroxy-2-(thiophen-3-yl)ethyl...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccsc1 Show InChI InChI=1S/C24H26N4O3S/c1-16-4-2-3-5-19(16)23(30)17-8-11-28(12-9-17)22-7-6-20(26-27-22)24(31)25-14-21(29)18-10-13-32-15-18/h2-7,10,13,15,17,21,29H,8-9,11-12,14H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304951 (CHEMBL591781 | N-(2-(4-fluorophenyl)-2-hydroxyethy...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccc(F)cc1 Show InChI InChI=1S/C26H27FN4O3/c1-17-4-2-3-5-21(17)25(33)19-12-14-31(15-13-19)24-11-10-22(29-30-24)26(34)28-16-23(32)18-6-8-20(27)9-7-18/h2-11,19,23,32H,12-16H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304949 (CHEMBL591563 | N-(2-(2-fluorophenyl)-2-hydroxyethy...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccc1F Show InChI InChI=1S/C26H27FN4O3/c1-17-6-2-3-7-19(17)25(33)18-12-14-31(15-13-18)24-11-10-22(29-30-24)26(34)28-16-23(32)20-8-4-5-9-21(20)27/h2-11,18,23,32H,12-16H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					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	25	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304956 (CHEMBL592754 | N-(2-hydroxy-2-(thiophen-2-yl)ethyl...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccs1 Show InChI InChI=1S/C24H26N4O3S/c1-16-5-2-3-6-18(16)23(30)17-10-12-28(13-11-17)22-9-8-19(26-27-22)24(31)25-15-20(29)21-7-4-14-32-21/h2-9,14,17,20,29H,10-13,15H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					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	25	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304953 (CHEMBL604871 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccnc1 Show InChI InChI=1S/C25H27N5O3/c1-17-5-2-3-7-20(17)24(32)18-10-13-30(14-11-18)23-9-8-21(28-29-23)25(33)27-16-22(31)19-6-4-12-26-15-19/h2-9,12,15,18,22,31H,10-11,13-14,16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304954 (CHEMBL591805 | N-(2-hydroxy-2-(pyridin-4-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccncc1 Show InChI InChI=1S/C25H27N5O3/c1-17-4-2-3-5-20(17)24(32)19-10-14-30(15-11-19)23-7-6-21(28-29-23)25(33)27-16-22(31)18-8-12-26-13-9-18/h2-9,12-13,19,22,31H,10-11,14-16H2,1H3,(H,27,33)	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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304953 (CHEMBL604871 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccnc1 Show InChI InChI=1S/C25H27N5O3/c1-17-5-2-3-7-20(17)24(32)18-10-13-30(14-11-18)23-9-8-21(28-29-23)25(33)27-16-22(31)19-6-4-12-26-15-19/h2-9,12,15,18,22,31H,10-11,13-14,16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304953 (CHEMBL604871 | N-(2-hydroxy-2-(pyridin-3-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccnc1 Show InChI InChI=1S/C25H27N5O3/c1-17-5-2-3-7-20(17)24(32)18-10-13-30(14-11-18)23-9-8-21(28-29-23)25(33)27-16-22(31)19-6-4-12-26-15-19/h2-9,12,15,18,22,31H,10-11,13-14,16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304956 (CHEMBL592754 | N-(2-hydroxy-2-(thiophen-2-yl)ethyl...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1cccs1 Show InChI InChI=1S/C24H26N4O3S/c1-16-5-2-3-6-18(16)23(30)17-10-12-28(13-11-17)22-9-8-19(26-27-22)24(31)25-15-20(29)21-7-4-14-32-21/h2-9,14,17,20,29H,10-13,15H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304944 (CHEMBL595474 | N-(2-hydroxy-2-phenylethyl)-6-(4-(2...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccc1 Show InChI InChI=1S/C26H28N4O3/c1-18-7-5-6-10-21(18)25(32)20-13-15-30(16-14-20)24-12-11-22(28-29-24)26(33)27-17-23(31)19-8-3-2-4-9-19/h2-12,20,23,31H,13-17H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304945 (CHEMBL591562 | N-(2-hydroxy-2-phenylethyl)-6-(4-(2...) Show SMILES COc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccc1 Show InChI InChI=1S/C26H28N4O4/c1-34-23-10-6-5-9-20(23)25(32)19-13-15-30(16-14-19)24-12-11-21(28-29-24)26(33)27-17-22(31)18-7-3-2-4-8-18/h2-12,19,22,31H,13-17H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304949 (CHEMBL591563 | N-(2-(2-fluorophenyl)-2-hydroxyethy...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccc1F Show InChI InChI=1S/C26H27FN4O3/c1-17-6-2-3-7-19(17)25(33)18-12-14-31(15-13-18)24-11-10-22(29-30-24)26(34)28-16-23(32)20-8-4-5-9-21(20)27/h2-11,18,23,32H,12-16H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					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	66	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					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	71	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304948 (6-(4-(4-fluorobenzoyl)piperidin-1-yl)-N-(2-hydroxy...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C25H25FN4O3/c26-20-8-6-18(7-9-20)24(32)19-12-14-30(15-13-19)23-11-10-21(28-29-23)25(33)27-16-22(31)17-4-2-1-3-5-17/h1-11,19,22,31H,12-16H2,(H,27,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304948 (6-(4-(4-fluorobenzoyl)piperidin-1-yl)-N-(2-hydroxy...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C25H25FN4O3/c26-20-8-6-18(7-9-20)24(32)19-12-14-30(15-13-19)23-11-10-21(28-29-23)25(33)27-16-22(31)17-4-2-1-3-5-17/h1-11,19,22,31H,12-16H2,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304952 (CHEMBL589380 | N-(2-hydroxy-2-(pyridin-2-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccn1 Show InChI InChI=1S/C25H27N5O3/c1-17-6-2-3-7-19(17)24(32)18-11-14-30(15-12-18)23-10-9-21(28-29-23)25(33)27-16-22(31)20-8-4-5-13-26-20/h2-10,13,18,22,31H,11-12,14-16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304939 (CHEMBL589378 | N-phenethyl-6-(4-(2-(trifluoromethy...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(cn1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C26H25F3N4O2/c27-26(28,29)22-9-5-4-8-21(22)25(35)33-16-14-32(15-17-33)23-11-10-20(18-31-23)24(34)30-13-12-19-6-2-1-3-7-19/h1-11,18H,12-17H2,(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304946 (CHEMBL600052 | N-(2-hydroxy-2-phenylethyl)-6-(4-(3...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1OC(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H25F3N4O4/c27-26(28,29)37-22-9-5-4-8-19(22)24(35)18-12-14-33(15-13-18)23-11-10-20(31-32-23)25(36)30-16-21(34)17-6-2-1-3-7-17/h1-11,18,21,34H,12-16H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304947 (6-(4-benzoylpiperidin-1-yl)-N-(2-hydroxy-2-phenyle...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H26N4O3/c30-22(18-7-3-1-4-8-18)17-26-25(32)21-11-12-23(28-27-21)29-15-13-20(14-16-29)24(31)19-9-5-2-6-10-19/h1-12,20,22,30H,13-17H2,(H,26,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304948 (6-(4-(4-fluorobenzoyl)piperidin-1-yl)-N-(2-hydroxy...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C25H25FN4O3/c26-20-8-6-18(7-9-20)24(32)19-12-14-30(15-13-19)23-11-10-21(28-29-23)25(33)27-16-22(31)17-4-2-1-3-5-17/h1-11,19,22,31H,12-16H2,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304954 (CHEMBL591805 | N-(2-hydroxy-2-(pyridin-4-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccncc1 Show InChI InChI=1S/C25H27N5O3/c1-17-4-2-3-5-20(17)24(32)19-10-14-30(15-11-19)23-7-6-21(28-29-23)25(33)27-16-22(31)18-8-12-26-13-9-18/h2-9,12-13,19,22,31H,10-11,14-16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human Scd1 expressed in HEK-293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 h...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304940 (CHEMBL591573 | N-phenethyl-4-(4-(2-(trifluoromethy...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(cc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H26F3N3O2/c28-27(29,30)24-9-5-4-8-23(24)26(35)33-18-16-32(17-19-33)22-12-10-21(11-13-22)25(34)31-15-14-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,31,34)	PDB KEGG 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
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304947 (6-(4-benzoylpiperidin-1-yl)-N-(2-hydroxy-2-phenyle...) Show SMILES OC(CNC(=O)c1ccc(nn1)N1CCC(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H26N4O3/c30-22(18-7-3-1-4-8-18)17-26-25(32)21-11-12-23(28-27-21)29-15-13-20(14-16-29)24(31)19-9-5-2-6-10-19/h1-12,20,22,30H,13-17H2,(H,26,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304952 (CHEMBL589380 | N-(2-hydroxy-2-(pyridin-2-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccccn1 Show InChI InChI=1S/C25H27N5O3/c1-17-6-2-3-7-19(17)24(32)18-11-14-30(15-12-18)23-10-9-21(28-29-23)25(33)27-16-22(31)20-8-4-5-13-26-20/h2-10,13,18,22,31H,11-12,14-16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304954 (CHEMBL591805 | N-(2-hydroxy-2-(pyridin-4-yl)ethyl)...) Show SMILES Cc1ccccc1C(=O)C1CCN(CC1)c1ccc(nn1)C(=O)NCC(O)c1ccncc1 Show InChI InChI=1S/C25H27N5O3/c1-17-4-2-3-5-20(17)24(32)19-10-14-30(15-11-19)23-7-6-21(28-29-23)25(33)27-16-22(31)18-8-12-26-13-9-18/h2-9,12-13,19,22,31H,10-11,14-16H2,1H3,(H,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50304939 (CHEMBL589378 | N-phenethyl-6-(4-(2-(trifluoromethy...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(cn1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C26H25F3N4O2/c27-26(28,29)22-9-5-4-8-21(22)25(35)33-16-14-32(15-17-33)23-11-10-20(18-31-23)24(34)30-13-12-19-6-2-1-3-7-19/h1-11,18H,12-17H2,(H,30,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50304938 (CHEMBL590592 | N-phenethyl-5-(4-(2-(trifluoromethy...) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(nc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C26H25F3N4O2/c27-26(28,29)22-9-5-4-8-21(22)25(35)33-16-14-32(15-17-33)20-10-11-23(31-18-20)24(34)30-13-12-19-6-2-1-3-7-19/h1-11,18H,12-17H2,(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...				Bioorg Med Chem Lett 20: 341-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.101 BindingDB Entry DOI: 10.7270/Q23X86R7
					More data for this Ligand-Target Pair

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