Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50042724   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50430004 (CHEMBL2334648) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CC2=C(C1)CN(C2)c1ccc(OCc2ccccc2)nn1 |c:15| Show InChI InChI=1S/C25H21F3N4O2/c26-25(27,28)21-9-5-4-8-20(21)24(33)32-14-18-12-31(13-19(18)15-32)22-10-11-23(30-29-22)34-16-17-6-2-1-3-7-17/h1-11H,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429988 (CHEMBL2334628) Show SMILES OC(c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)	PDB UniProtKB/SwissProt 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
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429974 (CHEMBL2334642) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C26H17F3N4O2S/c27-26(28,29)19-4-2-1-3-18(19)23(34)15-5-7-16(8-6-15)24-32-20-10-9-17(13-21(20)33-24)25(35)31-14-22-30-11-12-36-22/h1-13H,14H2,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429988 (CHEMBL2334628) Show SMILES OC(c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429970 (CHEMBL2334646) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1cccs1 Show InChI InChI=1S/C27H18F3N3O2S/c28-27(29,30)21-6-2-1-5-20(21)24(34)16-7-9-17(10-8-16)25-32-22-12-11-18(14-23(22)33-25)26(35)31-15-19-4-3-13-36-19/h1-14H,15H2,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429974 (CHEMBL2334642) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C26H17F3N4O2S/c27-26(28,29)19-4-2-1-3-18(19)23(34)15-5-7-16(8-6-15)24-32-20-10-9-17(13-21(20)33-24)25(35)31-14-22-30-11-12-36-22/h1-13H,14H2,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429985 (CHEMBL2334631) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429973 (CHEMBL2334643) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C27H17ClF3N3O2S/c28-23-12-10-18(37-23)14-32-26(36)17-9-11-21-22(13-17)34-25(33-21)16-7-5-15(6-8-16)24(35)19-3-1-2-4-20(19)27(29,30)31/h1-13H,14H2,(H,32,36)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429980 (CHEMBL2334636) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-31-25(34)16-7-11-20-21(13-16)33-24(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429973 (CHEMBL2334643) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C27H17ClF3N3O2S/c28-23-12-10-18(37-23)14-32-26(36)17-9-11-21-22(13-17)34-25(33-21)16-7-5-15(6-8-16)24(35)19-3-1-2-4-20(19)27(29,30)31/h1-13H,14H2,(H,32,36)(H,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429974 (CHEMBL2334642) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C26H17F3N4O2S/c27-26(28,29)19-4-2-1-3-18(19)23(34)15-5-7-16(8-6-15)24-32-20-10-9-17(13-21(20)33-24)25(35)31-14-22-30-11-12-36-22/h1-13H,14H2,(H,31,35)(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429973 (CHEMBL2334643) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C27H17ClF3N3O2S/c28-23-12-10-18(37-23)14-32-26(36)17-9-11-21-22(13-17)34-25(33-21)16-7-5-15(6-8-16)24(35)19-3-1-2-4-20(19)27(29,30)31/h1-13H,14H2,(H,32,36)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429981 (CHEMBL2334635) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C25H17F3N4O2S/c26-25(27,28)18-3-1-2-4-21(18)34-17-8-5-15(6-9-17)23-31-19-10-7-16(13-20(19)32-23)24(33)30-14-22-29-11-12-35-22/h1-13H,14H2,(H,30,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429988 (CHEMBL2334628) Show SMILES OC(c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429985 (CHEMBL2334631) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429981 (CHEMBL2334635) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C25H17F3N4O2S/c26-25(27,28)18-3-1-2-4-21(18)34-17-8-5-15(6-9-17)23-31-19-10-7-16(13-20(19)32-23)24(33)30-14-22-29-11-12-35-22/h1-13H,14H2,(H,30,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429978 (CHEMBL2334638) Show SMILES CC(C)CCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C26H24F3N3O2/c1-16(2)13-14-30-25(33)18-9-12-21-22(15-18)32-24(31-21)17-7-10-19(11-8-17)34-23-6-4-3-5-20(23)26(27,28)29/h3-12,15-16H,13-14H2,1-2H3,(H,30,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429980 (CHEMBL2334636) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-31-25(34)16-7-11-20-21(13-16)33-24(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429979 (CHEMBL2334637) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCCC1CC1 Show InChI InChI=1S/C26H22F3N3O2/c27-26(28,29)20-3-1-2-4-23(20)34-19-10-7-17(8-11-19)24-31-21-12-9-18(15-22(21)32-24)25(33)30-14-13-16-5-6-16/h1-4,7-12,15-16H,5-6,13-14H2,(H,30,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429984 (CHEMBL2334632) Show SMILES Clc1ccc(CNC(=O)c2ccc3nc([nH]c3c2)-c2ccc(Oc3ccccc3Cl)cc2)s1 Show InChI InChI=1S/C25H17Cl2N3O2S/c26-19-3-1-2-4-22(19)32-17-8-5-15(6-9-17)24-29-20-11-7-16(13-21(20)30-24)25(31)28-14-18-10-12-23(27)33-18/h1-13H,14H2,(H,28,31)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	832	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429983 (CHEMBL2334633) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCCC1CC1 Show InChI InChI=1S/C25H22ClN3O2/c26-20-3-1-2-4-23(20)31-19-10-7-17(8-11-19)24-28-21-12-9-18(15-22(21)29-24)25(30)27-14-13-16-5-6-16/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	966	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429985 (CHEMBL2334631) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429987 (CHEMBL2334629) Show SMILES FC(F)(F)c1ccccc1Oc1ccc2nc([nH]c2c1)-c1cccc(c1)C(=O)NCc1nccs1 Show InChI InChI=1S/C25H17F3N4O2S/c26-25(27,28)18-6-1-2-7-21(18)34-17-8-9-19-20(13-17)32-23(31-19)15-4-3-5-16(12-15)24(33)30-14-22-29-10-11-35-22/h1-13H,14H2,(H,30,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429984 (CHEMBL2334632) Show SMILES Clc1ccc(CNC(=O)c2ccc3nc([nH]c3c2)-c2ccc(Oc3ccccc3Cl)cc2)s1 Show InChI InChI=1S/C25H17Cl2N3O2S/c26-19-3-1-2-4-22(19)32-17-8-5-15(6-9-17)24-29-20-11-7-16(13-21(20)30-24)25(31)28-14-18-10-12-23(27)33-18/h1-13H,14H2,(H,28,31)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429986 (CHEMBL2334630) Show SMILES FC(F)(F)c1ccccc1Oc1ccc2nc([nH]c2c1)-c1cccc(c1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C26H17ClF3N3O2S/c27-23-11-9-18(36-23)14-31-25(34)16-5-3-4-15(12-16)24-32-20-10-8-17(13-21(20)33-24)35-22-7-2-1-6-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50430003 (CHEMBL2331588) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)CCc2ccccc2)cn1 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)23-12-11-20(18-30-23)31-24(34)13-10-19-6-2-1-3-7-19/h1-9,11-12,18H,10,13-17H2,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429983 (CHEMBL2334633) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCCC1CC1 Show InChI InChI=1S/C25H22ClN3O2/c26-20-3-1-2-4-23(20)31-19-10-7-17(8-11-19)24-28-21-12-9-18(15-22(21)29-24)25(30)27-14-13-16-5-6-16/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429982 (CHEMBL2334634) Show SMILES CC(C)CCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2Cl)cc1 Show InChI InChI=1S/C25H24ClN3O2/c1-16(2)13-14-27-25(30)18-9-12-21-22(15-18)29-24(28-21)17-7-10-19(11-8-17)31-23-6-4-3-5-20(23)26/h3-12,15-16H,13-14H2,1-2H3,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429969 (CHEMBL2334647) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CCN(CC1)c1nc2ccc(NC(=O)Cc3cccs3)cc2[nH]1 Show InChI InChI=1S/C25H22F3N5O2S/c26-25(27,28)19-6-2-1-5-18(19)23(35)32-9-11-33(12-10-32)24-30-20-8-7-16(14-21(20)31-24)29-22(34)15-17-4-3-13-36-17/h1-8,13-14H,9-12,15H2,(H,29,34)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429998 (CHEMBL2334653) Show SMILES Clc1ccc(CNC(=O)c2ccc3nc([nH]c3c2)-c2ccc(Oc3ccccc3)cc2)s1 Show InChI InChI=1S/C25H18ClN3O2S/c26-23-13-11-20(32-23)15-27-25(30)17-8-12-21-22(14-17)29-24(28-21)16-6-9-19(10-7-16)31-18-4-2-1-3-5-18/h1-14H,15H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50430002 (CHEMBL2334649) Show SMILES O=C(NCc1cccs1)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H19N3O2S/c29-25(26-16-21-7-4-14-31-21)18-10-13-22-23(15-18)28-24(27-22)17-8-11-20(12-9-17)30-19-5-2-1-3-6-19/h1-15H,16H2,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429972 (CHEMBL2334644) Show SMILES CC(C)CCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H24F3N3O2/c1-16(2)13-14-31-26(35)19-11-12-22-23(15-19)33-25(32-22)18-9-7-17(8-10-18)24(34)20-5-3-4-6-21(20)27(28,29)30/h3-12,15-16H,13-14H2,1-2H3,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429971 (CHEMBL2334645) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)Nc1nccs1 Show InChI InChI=1S/C25H15F3N4O2S/c26-25(27,28)18-4-2-1-3-17(18)21(33)14-5-7-15(8-6-14)22-30-19-10-9-16(13-20(19)31-22)23(34)32-24-29-11-12-35-24/h1-13H,(H,30,31)(H,29,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429999 (CHEMBL2334652) Show SMILES CCn1c(COCc2ccccc2)nc2cc(ccc12)C(=O)NCCc1ccc(O)cc1 Show InChI InChI=1S/C26H27N3O3/c1-2-29-24-13-10-21(26(31)27-15-14-19-8-11-22(30)12-9-19)16-23(24)28-25(29)18-32-17-20-6-4-3-5-7-20/h3-13,16,30H,2,14-15,17-18H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429997 (CHEMBL2334654) Show SMILES O=C(NCc1nccs1)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H18N4O2S/c29-24(26-15-22-25-12-13-31-22)17-8-11-20-21(14-17)28-23(27-20)16-6-9-19(10-7-16)30-18-4-2-1-3-5-18/h1-14H,15H2,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50430001 (CHEMBL2334650) Show SMILES O=C(NCc1ccccc1)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H21N3O2/c31-27(28-18-19-7-3-1-4-8-19)21-13-16-24-25(17-21)30-26(29-24)20-11-14-23(15-12-20)32-22-9-5-2-6-10-22/h1-17H,18H2,(H,28,31)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50430000 (CHEMBL2334651) Show SMILES FC(F)(F)c1cccc(CNC(=O)c2ccc3nc([nH]c3c2)-c2ccc(Oc3ccccc3)cc2)c1 Show InChI InChI=1S/C28H20F3N3O2/c29-28(30,31)21-6-4-5-18(15-21)17-32-27(35)20-11-14-24-25(16-20)34-26(33-24)19-9-12-23(13-10-19)36-22-7-2-1-3-8-22/h1-16H,17H2,(H,32,35)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429990 (CHEMBL2335022) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C28H19F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429992 (CHEMBL2335020) Show SMILES O=C(c1ccccc1)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H18N2O2/c29-25(18-7-3-1-4-8-18)20-13-16-23-24(17-20)28-26(27-23)19-11-14-22(15-12-19)30-21-9-5-2-6-10-21/h1-17H,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429996 (CHEMBL2334655) Show SMILES O=C(NCC1CC1)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O2/c28-24(25-15-16-6-7-16)18-10-13-21-22(14-18)27-23(26-21)17-8-11-20(12-9-17)29-19-4-2-1-3-5-19/h1-5,8-14,16H,6-7,15H2,(H,25,28)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429995 (CHEMBL2334656) Show SMILES CC(C)CCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H25N3O2/c1-17(2)14-15-26-25(29)19-10-13-22-23(16-19)28-24(27-22)18-8-11-21(12-9-18)30-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429994 (CHEMBL2334657) Show SMILES O=C(NCCC1CC1)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23N3O2/c29-25(26-15-14-17-6-7-17)19-10-13-22-23(16-19)28-24(27-22)18-8-11-21(12-9-18)30-20-4-2-1-3-5-20/h1-5,8-13,16-17H,6-7,14-15H2,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429977 (CHEMBL2334639) Show SMILES CNC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O2/c1-26-21(29)14-8-11-17-18(12-14)28-20(27-17)13-6-9-15(10-7-13)30-19-5-3-2-4-16(19)22(23,24)25/h2-12H,1H3,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429993 (CHEMBL2334658) Show SMILES O=C(NCCCc1ccccc1)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H25N3O2/c33-29(30-19-7-10-21-8-3-1-4-9-21)23-15-18-26-27(20-23)32-28(31-26)22-13-16-25(17-14-22)34-24-11-5-2-6-12-24/h1-6,8-9,11-18,20H,7,10,19H2,(H,30,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429976 (CHEMBL2334640) Show SMILES CCOC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C23H17F3N2O3/c1-2-30-22(29)15-9-12-18-19(13-15)28-21(27-18)14-7-10-16(11-8-14)31-20-6-4-3-5-17(20)23(24,25)26/h3-13H,2H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429975 (CHEMBL2334641) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C30H24F3N3O2/c31-30(32,33)24-10-4-5-11-27(24)38-23-15-12-21(13-16-23)28-35-25-17-14-22(19-26(25)36-28)29(37)34-18-6-9-20-7-2-1-3-8-20/h1-5,7-8,10-17,19H,6,9,18H2,(H,34,37)(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429989 (CHEMBL2334627) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C28H17F3N2O2/c29-28(30,31)22-9-5-4-8-21(22)26(35)18-10-12-19(13-11-18)27-32-23-15-14-20(16-24(23)33-27)25(34)17-6-2-1-3-7-17/h1-16H,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429991 (CHEMBL2335021) Show SMILES O=C(c1ccccc1)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C26H18N2O/c29-25(20-9-5-2-6-10-20)22-15-16-23-24(17-22)28-26(27-23)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17H,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair