Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'morin' and Initial = 'h'   

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))	BDBM50467599 (CHEMBL4282070) Show SMILES OCc1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1 Show InChI InChI=1S/C19H16F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-9-12-5-7-13(8-6-12)17(27)25-18-24-10-14(11-26)28-18/h1-8,10,23,26H,9,11H2,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467595 (CHEMBL4277121) Show SMILES CCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CCO)cs1 Show InChI InChI=1S/C23H27N3O2S/c1-2-3-6-18-7-4-5-8-21(18)24-15-17-9-11-19(12-10-17)22(28)26-23-25-20(13-14-27)16-29-23/h4-5,7-12,16,24,27H,2-3,6,13-15H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467583 (CHEMBL4295170) Show SMILES CCCCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C25H29N3O3S/c1-2-3-4-5-8-19-9-6-7-10-22(19)26-16-18-11-13-20(14-12-18)24(31)28-25-27-21(17-32-25)15-23(29)30/h6-7,9-14,17,26H,2-5,8,15-16H2,1H3,(H,29,30)(H,27,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467619 (CHEMBL4278602) Show SMILES CCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CO)cs1 Show InChI InChI=1S/C22H25N3O2S/c1-2-3-6-17-7-4-5-8-20(17)23-13-16-9-11-18(12-10-16)21(27)25-22-24-19(14-26)15-28-22/h4-5,7-12,15,23,26H,2-3,6,13-14H2,1H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467602 (CHEMBL4277371) Show SMILES OCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C19H16F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-9-12-5-7-13(8-6-12)17(27)25-18-24-14(10-26)11-28-18/h1-8,11,23,26H,9-10H2,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467579 (CHEMBL4289946) Show SMILES OCCc1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1 Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)16-3-1-2-4-17(16)24-11-13-5-7-14(8-6-13)18(28)26-19-25-12-15(29-19)9-10-27/h1-8,12,24,27H,9-11H2,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50467593 (CHEMBL4284259) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1 Show InChI InChI=1S/C19H19N3OS/c1-13-5-3-4-6-17(13)20-11-15-7-9-16(10-8-15)18(23)22-19-21-14(2)12-24-19/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of mouse liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incu...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467578 (CHEMBL4293631) Show SMILES OCCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1 Show InChI InChI=1S/C18H16F3N3O2S2/c19-18(20,21)13-3-1-2-4-14(13)22-9-12-5-6-15(28-12)16(26)24-17-23-11(7-8-25)10-27-17/h1-6,10,22,25H,7-9H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467624 (CHEMBL4282359) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C19H16F3N3OS/c1-12-11-27-18(24-12)25-17(26)14-8-6-13(7-9-14)10-23-16-5-3-2-4-15(16)19(20,21)22/h2-9,11,23H,10H2,1H3,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467621 (CHEMBL4288013) Show SMILES OCCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)16-3-1-2-4-17(16)24-11-13-5-7-14(8-6-13)18(28)26-19-25-15(9-10-27)12-29-19/h1-8,12,24,27H,9-11H2,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467597 (CHEMBL4283141) Show SMILES OCc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O2S/c19-15-3-1-2-4-16(15)20-9-12-5-7-13(8-6-12)17(24)22-18-21-14(10-23)11-25-18/h1-8,11,20,23H,9-10H2,(H,21,22,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467586 (CHEMBL4285765) Show SMILES CCCCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CCO)cs1 Show InChI InChI=1S/C23H29N3O2S2/c1-2-3-4-5-8-17-9-6-7-10-20(17)24-15-19-11-12-21(30-19)22(28)26-23-25-18(13-14-27)16-29-23/h6-7,9-12,16,24,27H,2-5,8,13-15H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467618 (CHEMBL4287233) Show SMILES CCCCCCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C27H33N3O3S/c1-2-3-4-5-6-7-10-21-11-8-9-12-24(21)28-18-20-13-15-22(16-14-20)26(33)30-27-29-23(19-34-27)17-25(31)32/h8-9,11-16,19,28H,2-7,10,17-18H2,1H3,(H,31,32)(H,29,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467625 (CHEMBL4286817) Show SMILES CC(C)CCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C24H27N3O3S/c1-16(2)7-10-18-5-3-4-6-21(18)25-14-17-8-11-19(12-9-17)23(30)27-24-26-20(15-31-24)13-22(28)29/h3-6,8-9,11-12,15-16,25H,7,10,13-14H2,1-2H3,(H,28,29)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467615 (CHEMBL4284015) Show SMILES CCCCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C23H27N3O3S2/c1-2-3-4-5-8-16-9-6-7-10-19(16)24-14-18-11-12-20(31-18)22(29)26-23-25-17(15-30-23)13-21(27)28/h6-7,9-12,15,24H,2-5,8,13-14H2,1H3,(H,27,28)(H,25,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467580 (CHEMBL4281222) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)15-3-1-2-4-16(15)24-10-12-5-7-13(8-6-12)18(29)26-19-25-14(11-30-19)9-17(27)28/h1-8,11,24H,9-10H2,(H,27,28)(H,25,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467626 (CHEMBL4294042) Show SMILES OCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1 Show InChI InChI=1S/C17H14F3N3O2S2/c18-17(19,20)12-3-1-2-4-13(12)21-7-11-5-6-14(27-11)15(25)23-16-22-10(8-24)9-26-16/h1-6,9,21,24H,7-8H2,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467584 (CHEMBL4280771) Show SMILES OCCCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C21H20F3N3O2S/c22-21(23,24)17-5-1-2-6-18(17)25-12-14-7-9-15(10-8-14)19(29)27-20-26-16(13-30-20)4-3-11-28/h1-2,5-10,13,25,28H,3-4,11-12H2,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467594 (CHEMBL4285064) Show SMILES CC(C)CCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CCO)cs1 Show InChI InChI=1S/C24H29N3O2S/c1-17(2)7-10-19-5-3-4-6-22(19)25-15-18-8-11-20(12-9-18)23(29)27-24-26-21(13-14-28)16-30-24/h3-6,8-9,11-12,16-17,25,28H,7,10,13-15H2,1-2H3,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50467582 (CHEMBL4276719) Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of mouse liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incu...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467614 (CHEMBL4283470) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cc3ccccc3)cc2)n1 Show InChI InChI=1S/C26H23N3O3S/c30-24(31)15-22-17-33-26(28-22)29-25(32)20-12-10-19(11-13-20)16-27-23-9-5-4-8-21(23)14-18-6-2-1-3-7-18/h1-13,17,27H,14-16H2,(H,30,31)(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467587 (CHEMBL4290642) Show SMILES CCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C23H25N3O3S/c1-2-3-6-17-7-4-5-8-20(17)24-14-16-9-11-18(12-10-16)22(29)26-23-25-19(15-30-23)13-21(27)28/h4-5,7-12,15,24H,2-3,6,13-14H2,1H3,(H,27,28)(H,25,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467604 (CHEMBL4292509) Show SMILES OC(=O)CCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C21H18F3N3O3S/c22-21(23,24)16-3-1-2-4-17(16)25-11-13-5-7-14(8-6-13)19(30)27-20-26-15(12-31-20)9-10-18(28)29/h1-8,12,25H,9-11H2,(H,28,29)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467596 (CHEMBL4286512) Show SMILES OCCc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1 Show InChI InChI=1S/C19H18ClN3O2S/c20-16-3-1-2-4-17(16)21-11-13-5-7-14(8-6-13)18(25)23-19-22-15(9-10-24)12-26-19/h1-8,12,21,24H,9-11H2,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467593 (CHEMBL4284259) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1 Show InChI InChI=1S/C19H19N3OS/c1-13-5-3-4-6-17(13)20-11-15-7-9-16(10-8-15)18(23)22-19-21-14(2)12-24-19/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50467582 (CHEMBL4276719) Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incuba...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467627 (CHEMBL4280567) Show SMILES CC(C)CCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C22H25N3O3S2/c1-14(2)7-8-15-5-3-4-6-18(15)23-12-17-9-10-19(30-17)21(28)25-22-24-16(13-29-22)11-20(26)27/h3-6,9-10,13-14,23H,7-8,11-12H2,1-2H3,(H,26,27)(H,24,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467617 (CHEMBL4288454) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cc3ccccc3)s2)n1 Show InChI InChI=1S/C24H21N3O3S2/c28-22(29)13-18-15-31-24(26-18)27-23(30)21-11-10-19(32-21)14-25-20-9-5-4-8-17(20)12-16-6-2-1-3-7-16/h1-11,15,25H,12-14H2,(H,28,29)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467589 (CHEMBL4291417) Show SMILES OC(=O)c1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1 Show InChI InChI=1S/C19H14F3N3O3S/c20-19(21,22)13-3-1-2-4-14(13)23-9-11-5-7-12(8-6-11)16(26)25-18-24-10-15(29-18)17(27)28/h1-8,10,23H,9H2,(H,27,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467613 (CHEMBL4278895) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3-c3ccccc3)cc2)n1 Show InChI InChI=1S/C25H21N3O3S/c29-23(30)14-20-16-32-25(27-20)28-24(31)19-12-10-17(11-13-19)15-26-22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13,16,26H,14-15H2,(H,29,30)(H,27,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467582 (CHEMBL4276719) Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467590 (CHEMBL4287688) Show SMILES CCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(C)cs1 Show InChI InChI=1S/C21H23N3OS/c1-3-6-17-7-4-5-8-19(17)22-13-16-9-11-18(12-10-16)20(25)24-21-23-15(2)14-26-21/h4-5,7-12,14,22H,3,6,13H2,1-2H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467592 (CHEMBL4285733) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1 Show InChI InChI=1S/C18H14F3N3O3S2/c19-18(20,21)12-3-1-2-4-13(12)22-8-11-5-6-14(29-11)16(27)24-17-23-10(9-28-17)7-15(25)26/h1-6,9,22H,7-8H2,(H,25,26)(H,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467611 (CHEMBL4294569) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3OS/c1-12-11-24-18(21-12)22-17(23)14-8-6-13(7-9-14)10-20-16-5-3-2-4-15(16)19/h2-9,11,20H,10H2,1H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467605 (CHEMBL4281535) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1 Show InChI InChI=1S/C17H14F3N3OS2/c1-10-9-25-16(22-10)23-15(24)14-7-6-11(26-14)8-21-13-5-3-2-4-12(13)17(18,19)20/h2-7,9,21H,8H2,1H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467628 (CHEMBL4280003) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1 Show InChI InChI=1S/C19H16ClN3O3S/c20-15-3-1-2-4-16(15)21-10-12-5-7-13(8-6-12)18(26)23-19-22-14(11-27-19)9-17(24)25/h1-8,11,21H,9-10H2,(H,24,25)(H,22,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467622 (CHEMBL4289099) Show SMILES Cc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C20H19N3O3S/c1-13-4-2-3-5-17(13)21-11-14-6-8-15(9-7-14)19(26)23-20-22-16(12-27-20)10-18(24)25/h2-9,12,21H,10-11H2,1H3,(H,24,25)(H,22,23,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467616 (CHEMBL4291877) Show SMILES CCCCCCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C25H31N3O3S2/c1-2-3-4-5-6-7-10-18-11-8-9-12-21(18)26-16-20-13-14-22(33-20)24(31)28-25-27-19(17-32-25)15-23(29)30/h8-9,11-14,17,26H,2-7,10,15-16H2,1H3,(H,29,30)(H,27,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467581 (CHEMBL4291104) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3cccc(Cl)c3)cc2)n1 Show InChI InChI=1S/C18H16ClN3OS/c1-12-11-24-18(21-12)22-17(23)14-7-5-13(6-8-14)10-20-16-4-2-3-15(19)9-16/h2-9,11,20H,10H2,1H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467598 (CHEMBL4293323) Show SMILES OCc1nc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)sc1C(O)=O Show InChI InChI=1S/C20H16F3N3O4S/c21-20(22,23)13-3-1-2-4-14(13)24-9-11-5-7-12(8-6-11)17(28)26-19-25-15(10-27)16(31-19)18(29)30/h1-8,24,27H,9-10H2,(H,29,30)(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467606 (CHEMBL4282929) Show SMILES Cc1csc(NC(=O)N2CCC(CNc3ccccc3C(F)(F)F)CC2)n1 Show InChI InChI=1S/C18H21F3N4OS/c1-12-11-27-16(23-12)24-17(26)25-8-6-13(7-9-25)10-22-15-5-3-2-4-14(15)18(19,20)21/h2-5,11,13,22H,6-10H2,1H3,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573397 (CHEMBL4856070) Show SMILES Fc1ccc2c(c[nH]c2c1Cl)-c1ccc2ccccc2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573398 (CHEMBL4845915) Show SMILES Fc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467588 (CHEMBL4293726) Show SMILES OCCCc1nc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)sc1CCO Show InChI InChI=1S/C23H24F3N3O3S/c24-23(25,26)17-4-1-2-5-18(17)27-14-15-7-9-16(10-8-15)21(32)29-22-28-19(6-3-12-30)20(33-22)11-13-31/h1-2,4-5,7-10,27,30-31H,3,6,11-14H2,(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573411 (CHEMBL4849023) Show SMILES FC(F)CNC(=O)c1cccc2nc(ccc12)-c1c[nH]c2c(F)c(F)c(F)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467607 (CHEMBL4287295) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cn2)n1 Show InChI InChI=1S/C18H18N4OS/c1-12-5-3-4-6-15(12)19-9-14-7-8-16(20-10-14)17(23)22-18-21-13(2)11-24-18/h3-8,10-11,19H,9H2,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50425732 (ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...) Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Vancouver Prostate Centre (VPC) Curated by ChEMBL					Assay Description Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secr...				Eur J Med Chem 157: 1164-1173 (2018) Article DOI: 10.1016/j.ejmech.2018.08.059 BindingDB Entry DOI: 10.7270/Q2183967
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467601 (CHEMBL4293987) Show SMILES OC(=O)Cc1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1 Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)15-3-1-2-4-16(15)24-10-12-5-7-13(8-6-12)18(29)26-19-25-11-14(30-19)9-17(27)28/h1-8,11,24H,9-10H2,(H,27,28)(H,25,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573399 (CHEMBL4870389) Show SMILES Cc1cccc2c(c[nH]c12)-c1ccc2ccccc2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50573413 (CHEMBL4847082) Show SMILES Fc1cc2c(c[nH]c2c(F)c1F)-c1ccc2c(cccc2n1)-c1cncs1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00681 BindingDB Entry DOI: 10.7270/Q2736VQV
					More data for this Ligand-Target Pair

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