Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'ouellet' and Initial = 'sg'   

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)	BDBM50362592 (CHEMBL1938870) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	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 mouse SCD-1				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50362586 (CHEMBL1938874) Show SMILES COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C19H20ClN7O3S/c1-30-13-2-3-14(20)15(4-13)25-6-11-8-26(9-12(11)7-25)19-21-5-16(31-19)18-22-24-27(23-18)10-17(28)29/h2-5,11-12H,6-10H2,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	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 mouse SCD-1				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362586 (CHEMBL1938874) Show SMILES COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C19H20ClN7O3S/c1-30-13-2-3-14(20)15(4-13)25-6-11-8-26(9-12(11)7-25)19-21-5-16(31-19)18-22-24-27(23-18)10-17(28)29/h2-5,11-12H,6-10H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50362583 (CHEMBL1938871) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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 mouse SCD-1				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50362587 (CHEMBL1938875) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCN(CC1)c1cc(F)ccc1Cl Show InChI InChI=1S/C16H15ClFN7O2S/c17-11-2-1-10(18)7-12(11)23-3-5-24(6-4-23)16-19-8-13(28-16)15-20-22-25(21-15)9-14(26)27/h1-2,7-8H,3-6,9H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	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 mouse SCD-1				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362583 (CHEMBL1938871) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB UniProtKB/SwissProt 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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362583 (CHEMBL1938871) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human SCD-1				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362587 (CHEMBL1938875) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCN(CC1)c1cc(F)ccc1Cl Show InChI InChI=1S/C16H15ClFN7O2S/c17-11-2-1-10(18)7-12(11)23-3-5-24(6-4-23)16-19-8-13(28-16)15-20-22-25(21-15)9-14(26)27/h1-2,7-8H,3-6,9H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362588 (CHEMBL1938876) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362584 (CHEMBL1938872) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O2S/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)18-21-4-15(30-18)17-22-24-27(23-17)9-16(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362591 (CHEMBL1938879) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCC2(CN(C2)c2cc(F)ccc2Cl)CC1 Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)27-10-19(11-27)3-5-26(6-4-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362589 (CHEMBL1938877) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CN(C2)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H15ClFN7O2S/c18-11-2-1-10(19)3-12(11)24-6-17(7-24)8-25(9-17)16-20-4-13(29-16)15-21-23-26(22-15)5-14(27)28/h1-4H,5-9H2,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362585 (CHEMBL1938873) Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H16ClFN8O2S/c18-12-2-1-11(19)3-13(12)25-4-9-6-26(7-10(9)5-25)17-22-21-16(30-17)15-20-24-27(23-15)8-14(28)29/h1-3,9-10H,4-8H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362589 (CHEMBL1938877) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CN(C2)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H15ClFN7O2S/c18-11-2-1-10(19)3-12(11)24-6-17(7-24)8-25(9-17)16-20-4-13(29-16)15-21-23-26(22-15)5-14(27)28/h1-4H,5-9H2,(H,27,28)	PDB UniProtKB/SwissProt 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
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362586 (CHEMBL1938874) Show SMILES COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C19H20ClN7O3S/c1-30-13-2-3-14(20)15(4-13)25-6-11-8-26(9-12(11)7-25)19-21-5-16(31-19)18-22-24-27(23-18)10-17(28)29/h2-5,11-12H,6-10H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	113	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362590 (CHEMBL1938878) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CCN(CC2)c1cc(F)ccc1Cl Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)26-5-3-19(4-6-26)10-27(11-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	128	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362587 (CHEMBL1938875) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCN(CC1)c1cc(F)ccc1Cl Show InChI InChI=1S/C16H15ClFN7O2S/c17-11-2-1-10(18)7-12(11)23-3-5-24(6-4-23)16-19-8-13(28-16)15-20-22-25(21-15)9-14(26)27/h1-2,7-8H,3-6,9H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	134	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362588 (CHEMBL1938876) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362583 (CHEMBL1938871) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	198	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362584 (CHEMBL1938872) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O2S/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)18-21-4-15(30-18)17-22-24-27(23-17)9-16(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	233	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase 5 (Homo sapiens (Human))	BDBM50362583 (CHEMBL1938871) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	242	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 human SCD-5				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362585 (CHEMBL1938873) Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H16ClFN8O2S/c18-12-2-1-11(19)3-13(12)25-4-9-6-26(7-10(9)5-25)17-22-21-16(30-17)15-20-24-27(23-15)8-14(28)29/h1-3,9-10H,4-8H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362591 (CHEMBL1938879) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCC2(CN(C2)c2cc(F)ccc2Cl)CC1 Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)27-10-19(11-27)3-5-26(6-4-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	438	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362590 (CHEMBL1938878) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CCN(CC2)c1cc(F)ccc1Cl Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)26-5-3-19(4-6-26)10-27(11-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	506	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362586 (CHEMBL1938874) Show SMILES COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C19H20ClN7O3S/c1-30-13-2-3-14(20)15(4-13)25-6-11-8-26(9-12(11)7-25)19-21-5-16(31-19)18-22-24-27(23-18)10-17(28)29/h2-5,11-12H,6-10H2,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.45E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362587 (CHEMBL1938875) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCN(CC1)c1cc(F)ccc1Cl Show InChI InChI=1S/C16H15ClFN7O2S/c17-11-2-1-10(18)7-12(11)23-3-5-24(6-4-23)16-19-8-13(28-16)15-20-22-25(21-15)9-14(26)27/h1-2,7-8H,3-6,9H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362588 (CHEMBL1938876) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.14E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362583 (CHEMBL1938871) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362585 (CHEMBL1938873) Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H16ClFN8O2S/c18-12-2-1-11(19)3-13(12)25-4-9-6-26(7-10(9)5-25)17-22-21-16(30-17)15-20-24-27(23-15)8-14(28)29/h1-3,9-10H,4-8H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362584 (CHEMBL1938872) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O2S/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)18-21-4-15(30-18)17-22-24-27(23-17)9-16(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.54E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362589 (CHEMBL1938877) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CN(C2)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H15ClFN7O2S/c18-11-2-1-10(19)3-12(11)24-6-17(7-24)8-25(9-17)16-20-4-13(29-16)15-21-23-26(22-15)5-14(27)28/h1-4H,5-9H2,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.09E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Homo sapiens (Human))	BDBM50362583 (CHEMBL1938871) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+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 human delta-5 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50362583 (CHEMBL1938871) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+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 human delta-6 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362590 (CHEMBL1938878) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CCN(CC2)c1cc(F)ccc1Cl Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)26-5-3-19(4-6-26)10-27(11-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362591 (CHEMBL1938879) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCC2(CN(C2)c2cc(F)ccc2Cl)CC1 Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)27-10-19(11-27)3-5-26(6-4-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair