Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50043938   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448653 (CHEMBL3127535) Show SMILES OCc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H24FN5O/c24-18-3-1-16-7-12-29(22(16)13-18)20-8-10-28(11-9-20)23-6-5-21(26-27-23)17-2-4-19(15-30)25-14-17/h1-6,13-14,20,30H,7-12,15H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448654 (CHEMBL3127534) Show SMILES Cc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H24FN5/c1-16-2-3-18(15-25-16)21-6-7-23(27-26-21)28-11-9-20(10-12-28)29-13-8-17-4-5-19(24)14-22(17)29/h2-7,14-15,20H,8-13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448659 (CHEMBL3127654) Show SMILES Cc1csc(n1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H22FN5S/c1-14-13-28-21(23-14)18-4-5-20(25-24-18)26-9-7-17(8-10-26)27-11-6-15-2-3-16(22)12-19(15)27/h2-5,12-13,17H,6-11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia 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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448671 (CHEMBL3127543) Show SMILES OCc1cn(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6O/c22-16-2-1-15-5-10-28(19(15)11-16)18-6-8-26(9-7-18)20-3-4-21(25-24-20)27-12-17(13-29)23-14-27/h1-4,11-12,14,18,29H,5-10,13H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448651 (CHEMBL3127537 | US9102669, 36) Show SMILES COc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H24FN5O/c1-30-23-7-3-17(15-25-23)20-5-6-22(27-26-20)28-11-9-19(10-12-28)29-13-8-16-2-4-18(24)14-21(16)29/h2-7,14-15,19H,8-13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448661 (CHEMBL3127652) Show SMILES Cc1ccc(s1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H23FN4S/c1-15-2-6-21(28-15)19-5-7-22(25-24-19)26-11-9-18(10-12-26)27-13-8-16-3-4-17(23)14-20(16)27/h2-7,14,18H,8-13H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448649 (CHEMBL3127539) Show SMILES CNC(=O)c1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H25FN6O/c1-26-24(32)21-5-3-17(15-27-21)20-6-7-23(29-28-20)30-11-9-19(10-12-30)31-13-8-16-2-4-18(25)14-22(16)31/h2-7,14-15,19H,8-13H2,1H3,(H,26,32)	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448669 (CHEMBL3127644 | US9102669, 16) Show SMILES OCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6O/c22-17-2-1-16-5-10-27(19(16)11-17)18-6-8-26(9-7-18)20-3-4-21(25-24-20)28-13-15(14-29)12-23-28/h1-4,11-13,18,29H,5-10,14H2	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448659 (CHEMBL3127654) Show SMILES Cc1csc(n1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H22FN5S/c1-14-13-28-21(23-14)18-4-5-20(25-24-18)26-9-7-17(8-10-26)27-11-6-15-2-3-16(22)12-19(15)27/h2-5,12-13,17H,6-11H2,1H3	PDB 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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448667 (CHEMBL3127646) Show SMILES CCOc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H25FN6O/c1-2-30-19-14-24-29(15-19)22-6-5-21(25-26-22)27-10-8-18(9-11-27)28-12-7-16-3-4-17(23)13-20(16)28/h3-6,13-15,18H,2,7-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448657 (CHEMBL3127530 | US9102669, 29) Show SMILES OCc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H25FN4O/c25-20-6-5-19-9-14-29(23(19)15-20)21-10-12-28(13-11-21)24-8-7-22(26-27-24)18-3-1-17(16-30)2-4-18/h1-8,15,21,30H,9-14,16H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448653 (CHEMBL3127535) Show SMILES OCc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H24FN5O/c24-18-3-1-16-7-12-29(22(16)13-18)20-8-10-28(11-9-20)23-6-5-21(26-27-23)17-2-4-19(15-30)25-14-17/h1-6,13-14,20,30H,7-12,15H2	PDB 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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448672 (CHEMBL3127542) Show SMILES Cc1cn(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6/c1-15-13-27(14-23-15)21-5-4-20(24-25-21)26-9-7-18(8-10-26)28-11-6-16-2-3-17(22)12-19(16)28/h2-5,12-14,18H,6-11H2,1H3	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448667 (CHEMBL3127646) Show SMILES CCOc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H25FN6O/c1-2-30-19-14-24-29(15-19)22-6-5-21(25-26-22)27-10-8-18(9-11-27)28-12-7-16-3-4-17(23)13-20(16)28/h3-6,13-15,18H,2,7-12H2,1H3	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448668 (CHEMBL3127645) Show SMILES OCCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H25FN6O/c23-18-2-1-17-5-11-28(20(17)13-18)19-6-9-27(10-7-19)21-3-4-22(26-25-21)29-15-16(8-12-30)14-24-29/h1-4,13-15,19,30H,5-12H2	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448683 (CHEMBL3127655) Show SMILES Cc1nsc(n1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C20H21FN6S/c1-13-22-20(28-25-13)17-4-5-19(24-23-17)26-9-7-16(8-10-26)27-11-6-14-2-3-15(21)12-18(14)27/h2-5,12,16H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448671 (CHEMBL3127543) Show SMILES OCc1cn(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6O/c22-16-2-1-15-5-10-28(19(15)11-16)18-6-8-26(9-7-18)20-3-4-21(25-24-20)27-12-17(13-29)23-14-27/h1-4,11-12,14,18,29H,5-10,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448658 (CHEMBL3127656) Show SMILES Cc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H25FN4/c1-17-2-4-18(5-3-17)22-8-9-24(27-26-22)28-13-11-21(12-14-28)29-15-10-19-6-7-20(25)16-23(19)29/h2-9,16,21H,10-15H2,1H3	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448663 (CHEMBL3127650) Show SMILES CCOCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H29FN6O/c1-2-32-14-13-30-17-19(16-26-30)22-5-6-24(28-27-22)29-10-8-21(9-11-29)31-12-7-18-3-4-20(25)15-23(18)31/h3-6,15-17,21H,2,7-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448660 (CHEMBL3127653) Show SMILES Cc1cnc(s1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H22FN5S/c1-14-13-23-21(28-14)18-4-5-20(25-24-18)26-9-7-17(8-10-26)27-11-6-15-2-3-16(22)12-19(15)27/h2-5,12-13,17H,6-11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448662 (CHEMBL3127651 | US9102669, 22) Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H26FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-5,12-14,19H,6-11,15H2,1H3,(H,25,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448651 (CHEMBL3127537 | US9102669, 36) Show SMILES COc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H24FN5O/c1-30-23-7-3-17(15-25-23)20-5-6-22(27-26-20)28-11-9-19(10-12-28)29-13-8-16-2-4-18(24)14-21(16)29/h2-7,14-15,19H,8-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448654 (CHEMBL3127534) Show SMILES Cc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H24FN5/c1-16-2-3-18(15-25-16)21-6-7-23(27-26-21)28-11-9-20(10-12-28)29-13-8-17-4-5-19(24)14-22(17)29/h2-7,14-15,20H,8-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448652 (CHEMBL3127536) Show SMILES Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3ccc(nc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C23H21F4N5/c24-17-3-1-15-7-12-32(20(15)13-17)18-8-10-31(11-9-18)22-6-4-19(29-30-22)16-2-5-21(28-14-16)23(25,26)27/h1-6,13-14,18H,7-12H2	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448662 (CHEMBL3127651 | US9102669, 22) Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H26FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-5,12-14,19H,6-11,15H2,1H3,(H,25,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM60546 (BDBM50448680 | US9102669, 47) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-5,12-14,18H,6-11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448652 (CHEMBL3127536) Show SMILES Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3ccc(nc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C23H21F4N5/c24-17-3-1-15-7-12-32(20(15)13-17)18-8-10-31(11-9-18)22-6-4-19(29-30-22)16-2-5-21(28-14-16)23(25,26)27/h1-6,13-14,18H,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448672 (CHEMBL3127542) Show SMILES Cc1cn(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6/c1-15-13-27(14-23-15)21-5-4-20(24-25-21)26-9-7-18(8-10-26)28-11-6-16-2-3-17(22)12-19(16)28/h2-5,12-14,18H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448666 (CHEMBL3127647) Show SMILES CCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H25FN6/c1-2-28-15-17(14-24-28)20-5-6-22(26-25-20)27-10-8-19(9-11-27)29-12-7-16-3-4-18(23)13-21(16)29/h3-6,13-15,19H,2,7-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448669 (CHEMBL3127644 | US9102669, 16) Show SMILES OCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6O/c22-17-2-1-16-5-10-27(19(16)11-17)18-6-8-26(9-7-18)20-3-4-21(25-24-20)28-13-15(14-29)12-23-28/h1-4,11-13,18,29H,5-10,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448650 (CHEMBL3127538 | US9102669, 37) Show SMILES CN(C)c1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H27FN6/c1-29(2)23-7-4-18(16-26-23)21-6-8-24(28-27-21)30-12-10-20(11-13-30)31-14-9-17-3-5-19(25)15-22(17)31/h3-8,15-16,20H,9-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448668 (CHEMBL3127645) Show SMILES OCCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H25FN6O/c23-18-2-1-17-5-11-28(20(17)13-18)19-6-9-27(10-7-19)21-3-4-22(26-25-21)29-15-16(8-12-30)14-24-29/h1-4,13-15,19,30H,5-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448670 (CHEMBL3127643 | US9102669, 15) Show SMILES Cc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6/c1-15-13-23-28(14-15)21-5-4-20(24-25-21)26-9-7-18(8-10-26)27-11-6-16-2-3-17(22)12-19(16)27/h2-5,12-14,18H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448664 (CHEMBL3127649 | US9102669, 21) Show SMILES OCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H25FN6O/c23-18-2-1-16-5-10-29(21(16)13-18)19-6-8-27(9-7-19)22-4-3-20(25-26-22)17-14-24-28(15-17)11-12-30/h1-4,13-15,19,30H,5-12H2	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448657 (CHEMBL3127530 | US9102669, 29) Show SMILES OCc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H25FN4O/c25-20-6-5-19-9-14-29(23(19)15-20)21-10-12-28(13-11-21)24-8-7-22(26-27-24)18-3-1-17(16-30)2-4-18/h1-8,15,21,30H,9-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448665 (CHEMBL3127648) Show SMILES CCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H27FN6/c1-2-10-29-16-18(15-25-29)21-5-6-23(27-26-21)28-11-8-20(9-12-28)30-13-7-17-3-4-19(24)14-22(17)30/h3-6,14-16,20H,2,7-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448664 (CHEMBL3127649 | US9102669, 21) Show SMILES OCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H25FN6O/c23-18-2-1-16-5-10-29(21(16)13-18)19-6-8-27(9-7-19)22-4-3-20(25-26-22)17-14-24-28(15-17)11-12-30/h1-4,13-15,19,30H,5-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60544 (BDBM50448674 | US9102669, 46 | US9102669, 63) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C21H21FN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-6,11-14,18H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448670 (CHEMBL3127643 | US9102669, 15) Show SMILES Cc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6/c1-15-13-23-28(14-15)21-5-4-20(24-25-21)26-9-7-18(8-10-26)27-11-6-16-2-3-17(22)12-19(16)27/h2-5,12-14,18H,6-11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM60544 (BDBM50448674 | US9102669, 46 | US9102669, 63) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C21H21FN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-6,11-14,18H,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448678 (CHEMBL3127663) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(Cl)cc12 Show InChI InChI=1S/C21H23ClN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-5,12-14,18H,6-11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448650 (CHEMBL3127538 | US9102669, 37) Show SMILES CN(C)c1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H27FN6/c1-29(2)23-7-4-18(16-26-23)21-6-8-24(28-27-21)30-12-10-20(11-13-30)31-14-9-17-3-5-19(25)15-22(17)31/h3-8,15-16,20H,9-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448666 (CHEMBL3127647) Show SMILES CCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H25FN6/c1-2-28-15-17(14-24-28)20-5-6-22(26-25-20)27-10-8-19(9-11-27)29-12-7-16-3-4-18(23)13-21(16)29/h3-6,13-15,19H,2,7-12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448660 (CHEMBL3127653) Show SMILES Cc1cnc(s1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H22FN5S/c1-14-13-23-21(28-14)18-4-5-20(25-24-18)26-9-7-17(8-10-26)27-11-6-15-2-3-16(22)12-19(15)27/h2-5,12-13,17H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448678 (CHEMBL3127663) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(Cl)cc12 Show InChI InChI=1S/C21H23ClN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-5,12-14,18H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448649 (CHEMBL3127539) Show SMILES CNC(=O)c1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H25FN6O/c1-26-24(32)21-5-3-17(15-27-21)20-6-7-23(29-28-20)30-11-9-19(10-12-30)31-13-8-16-2-4-18(25)14-22(16)31/h2-7,14-15,19H,8-13H2,1H3,(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60546 (BDBM50448680 | US9102669, 47) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-5,12-14,18H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448673 (CHEMBL3127541 | US9102669, 39) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ncc2ccc(F)cc12 Show InChI InChI=1S/C20H20FN7/c1-26-13-15(12-22-26)18-4-5-20(25-24-18)27-8-6-17(7-9-27)28-19-10-16(21)3-2-14(19)11-23-28/h2-5,10-13,17H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448663 (CHEMBL3127650) Show SMILES CCOCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H29FN6O/c1-2-32-14-13-30-17-19(16-26-30)22-5-6-24(28-27-22)29-10-8-21(9-11-29)31-12-7-18-3-4-20(25)15-23(18)31/h3-6,15-17,21H,2,7-14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50448675 (CHEMBL3127666 | US9102669, 11) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis				Bioorg Med Chem Lett 24: 1437-41 (2014) Article DOI: 10.1016/j.bmcl.2013.12.075 BindingDB Entry DOI: 10.7270/Q26M38BM
					More data for this Ligand-Target Pair

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