Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50028342   

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))	BDBM50257967 (CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C27H24ClF3N4O3/c1-16(36)32-11-12-35-24-14-19(33-15-17-3-9-22(28)21(13-17)27(29,30)31)6-10-23(24)34-25(26(35)37)18-4-7-20(38-2)8-5-18/h3-10,13-14,33H,11-12,15H2,1-2H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257758 (3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C25H22F3N5O3/c1-36-18-7-5-16(6-8-18)22-24(35)33(12-11-20(29)34)23-19(31-22)9-10-21(32-23)30-14-15-3-2-4-17(13-15)25(26,27)28/h2-10,13H,11-12,14H2,1H3,(H2,29,34)(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257968 (CHEMBL494359 | N-(2-(7-(4-fluoro-3-methylbenzylami...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(F)c(C)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C27H27FN4O3/c1-17-14-19(4-10-23(17)28)16-30-21-7-11-24-25(15-21)32(13-12-29-18(2)33)27(34)26(31-24)20-5-8-22(35-3)9-6-20/h4-11,14-15,30H,12-13,16H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257922 (CHEMBL494544 | N-(2-(3-(4-ethylphenyl)-2-oxo-7-(3-...) Show SMILES CCc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C28H27F3N4O2/c1-3-19-7-9-21(10-8-19)26-27(37)35(14-13-32-18(2)36)25-16-23(11-12-24(25)34-26)33-17-20-5-4-6-22(15-20)28(29,30)31/h4-12,15-16,33H,3,13-14,17H2,1-2H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257920 (CHEMBL493961 | N-(2-(3-(4-methoxyphenyl)-2-oxo-7-(...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C27H25F3N4O3/c1-17(35)31-12-13-34-24-15-21(32-16-18-4-3-5-20(14-18)27(28,29)30)8-11-23(24)33-25(26(34)36)19-6-9-22(37-2)10-7-19/h3-11,14-15,32H,12-13,16H2,1-2H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258152 (3-(6-(4-methoxyphenyl)-7-oxo-2-(3-(trifluoromethyl...) Show SMILES COc1ccc(cc1)-c1nc2cnc(NCc3cccc(c3)C(F)(F)F)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C24H21F3N6O3/c1-36-17-7-5-15(6-8-17)20-22(35)33(10-9-19(28)34)21-18(31-20)13-30-23(32-21)29-12-14-3-2-4-16(11-14)24(25,26)27/h2-8,11,13H,9-10,12H2,1H3,(H2,28,34)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258016 (CHEMBL522160 | N-(2-(3-(4-methoxyphenyl)-2-oxo-7-(...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cc(ccn3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C26H24F3N5O3/c1-16(35)30-11-12-34-23-14-19(32-15-20-13-18(9-10-31-20)26(27,28)29)5-8-22(23)33-24(25(34)36)17-3-6-21(37-2)7-4-17/h3-10,13-14,32H,11-12,15H2,1-2H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257919 (CHEMBL493960 | N-(2-(7-(3,4-dichlorobenzylamino)-3...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C26H24Cl2N4O3/c1-16(33)29-11-12-32-24-14-19(30-15-17-3-9-21(27)22(28)13-17)6-10-23(24)31-25(26(32)34)18-4-7-20(35-2)8-5-18/h3-10,13-14,30H,11-12,15H2,1-2H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258196 (3-(7-oxo-6-p-tolyl-2-(3-(trifluoromethyl)benzylami...) Show SMILES Cc1ccc(cc1)-c1nc2cnc(NCc3cccc(c3)C(F)(F)F)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C24H21F3N6O2/c1-14-5-7-16(8-6-14)20-22(35)33(10-9-19(28)34)21-18(31-20)13-30-23(32-21)29-12-15-3-2-4-17(11-15)24(25,26)27/h2-8,11,13H,9-10,12H2,1H3,(H2,28,34)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257809 (CHEMBL495170 | N-(2-(6-(3-chloro-4-fluorobenzylami...) Show SMILES CC(=O)NCCn1c2nc(NCc3ccc(F)c(Cl)c3)ccc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C23H20ClFN6O2/c1-14(32)27-9-10-31-22-19(29-21(23(31)33)16-3-2-8-26-13-16)6-7-20(30-22)28-12-15-4-5-18(25)17(24)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,27,32)(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257921 (CHEMBL494543 | N-(2-(2-oxo-3-(pyridin-3-yl)-7-(3-(...) Show SMILES CC(=O)NCCn1c2cc(NCc3cccc(c3)C(F)(F)F)ccc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C25H22F3N5O2/c1-16(34)30-10-11-33-22-13-20(31-14-17-4-2-6-19(12-17)25(26,27)28)7-8-21(22)32-23(24(33)35)18-5-3-9-29-15-18/h2-9,12-13,15,31H,10-11,14H2,1H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257965 (CHEMBL494552 | N-(2-(3-(4-methoxyphenyl)-7-(3-meth...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(C)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C27H28N4O3/c1-18-5-4-6-20(15-18)17-29-22-9-12-24-25(16-22)31(14-13-28-19(2)32)27(33)26(30-24)21-7-10-23(34-3)11-8-21/h4-12,15-16,29H,13-14,17H2,1-3H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257808 (CHEMBL495001 | N-(2-(6-(3,4-dichlorobenzylamino)-3...) Show SMILES CC(=O)NCCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ccc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C23H20Cl2N6O2/c1-14(32)27-9-10-31-22-19(29-21(23(31)33)16-3-2-8-26-13-16)6-7-20(30-22)28-12-15-4-5-17(24)18(25)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,27,32)(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257757 (3-(6-(3,4-dichlorobenzylamino)-2-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C24H21Cl2N5O3/c1-34-16-5-3-15(4-6-16)22-24(33)31(11-10-20(27)32)23-19(29-22)8-9-21(30-23)28-13-14-2-7-17(25)18(26)12-14/h2-9,12H,10-11,13H2,1H3,(H2,27,32)(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257553 (CHEMBL523668 | N-(2-(6-(4-fluoro-3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(F)c(c3)C(F)(F)F)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C26H23F4N5O3/c1-15(36)31-11-12-35-24-21(33-23(25(35)37)17-4-6-18(38-2)7-5-17)9-10-22(34-24)32-14-16-3-8-20(27)19(13-16)26(28,29)30/h3-10,13H,11-12,14H2,1-2H3,(H,31,36)(H,32,34)	PDB KEGG UniProtKB/SwissProt antibodypedia 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257861 (CHEMBL495359 | N-(2-(7-(3,4-dichlorobenzylamino)-2...) Show SMILES CC(=O)NCCn1c2cc(NCc3ccc(Cl)c(Cl)c3)ncc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C23H20Cl2N6O2/c1-14(32)27-7-8-31-20-10-21(28-11-15-4-5-17(24)18(25)9-15)29-13-19(20)30-22(23(31)33)16-3-2-6-26-12-16/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,27,32)(H,28,29)	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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50257967 (CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C27H24ClF3N4O3/c1-16(36)32-11-12-35-24-14-19(33-15-17-3-9-22(28)21(13-17)27(29,30)31)6-10-23(24)34-25(26(35)37)18-4-7-20(38-2)8-5-18/h3-10,13-14,33H,11-12,15H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta6-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50257919 (CHEMBL493960 | N-(2-(7-(3,4-dichlorobenzylamino)-3...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C26H24Cl2N4O3/c1-16(33)29-11-12-32-24-14-19(30-15-17-3-9-21(27)22(28)13-17)6-10-23(24)31-25(26(32)34)18-4-7-20(35-2)8-5-18/h3-10,13-14,30H,11-12,15H2,1-2H3,(H,29,33)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta6-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50257860 (CHEMBL495194 | N-(2-(7-(3,4-dichlorobenzylamino)-3...) Show SMILES COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23Cl2N5O3/c1-15(33)28-9-10-32-22-12-23(29-13-16-3-8-19(26)20(27)11-16)30-14-21(22)31-24(25(32)34)17-4-6-18(35-2)7-5-17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,28,33)(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta5-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50257919 (CHEMBL493960 | N-(2-(7-(3,4-dichlorobenzylamino)-3...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C26H24Cl2N4O3/c1-16(33)29-11-12-32-24-14-19(30-15-17-3-9-21(27)22(28)13-17)6-10-23(24)31-25(26(32)34)18-4-7-20(35-2)8-5-18/h3-10,13-14,30H,11-12,15H2,1-2H3,(H,29,33)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta5-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50257967 (CHEMBL494748 | N-(2-(7-(4-chloro-3-(trifluoromethy...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C27H24ClF3N4O3/c1-16(36)32-11-12-35-24-14-19(33-15-17-3-9-22(28)21(13-17)27(29,30)31)6-10-23(24)34-25(26(35)37)18-4-7-20(38-2)8-5-18/h3-10,13-14,33H,11-12,15H2,1-2H3,(H,32,36)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta5-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50258014 (CHEMBL494750 | N-(2-(2-(3,4-dichlorobenzylamino)-6...) Show SMILES COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C24H22Cl2N6O3/c1-14(33)27-9-10-32-22-20(30-21(23(32)34)16-4-6-17(35-2)7-5-16)13-29-24(31-22)28-12-15-3-8-18(25)19(26)11-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,27,33)(H,28,29,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta6-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50258197 (CHEMBL495191 | N-(2-(6-(3,4-dichlorobenzylamino)-2...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23Cl2N5O3/c1-15(33)28-11-12-32-24-21(30-23(25(32)34)17-4-6-18(35-2)7-5-17)9-10-22(31-24)29-14-16-3-8-19(26)20(27)13-16/h3-10,13H,11-12,14H2,1-2H3,(H,28,33)(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta6-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50257757 (3-(6-(3,4-dichlorobenzylamino)-2-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C24H21Cl2N5O3/c1-34-16-5-3-15(4-6-16)22-24(33)31(11-10-20(27)32)23-19(29-22)8-9-21(30-23)28-13-14-2-7-17(25)18(26)12-14/h2-9,12H,10-11,13H2,1H3,(H2,27,32)(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta6-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50257758 (3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C25H22F3N5O3/c1-36-18-7-5-16(6-8-18)22-24(35)33(12-11-20(29)34)23-19(31-22)9-10-21(32-23)30-14-15-3-2-4-17(13-15)25(26,27)28/h2-10,13H,11-12,14H2,1H3,(H2,29,34)(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta6-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50257808 (CHEMBL495001 | N-(2-(6-(3,4-dichlorobenzylamino)-3...) Show SMILES CC(=O)NCCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ccc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C23H20Cl2N6O2/c1-14(32)27-9-10-31-22-19(29-21(23(31)33)16-3-2-8-26-13-16)6-7-20(30-22)28-12-15-4-5-17(24)18(25)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,27,32)(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta6-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50257757 (3-(6-(3,4-dichlorobenzylamino)-2-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C24H21Cl2N5O3/c1-34-16-5-3-15(4-6-16)22-24(33)31(11-10-20(27)32)23-19(29-22)8-9-21(30-23)28-13-14-2-7-17(25)18(26)12-14/h2-9,12H,10-11,13H2,1H3,(H2,27,32)(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta5-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50257758 (3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C25H22F3N5O3/c1-36-18-7-5-16(6-8-18)22-24(35)33(12-11-20(29)34)23-19(31-22)9-10-21(32-23)30-14-15-3-2-4-17(13-15)25(26,27)28/h2-10,13H,11-12,14H2,1H3,(H2,29,34)(H,30,32)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta5-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50257860 (CHEMBL495194 | N-(2-(7-(3,4-dichlorobenzylamino)-3...) Show SMILES COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23Cl2N5O3/c1-15(33)28-9-10-32-22-12-23(29-13-16-3-8-19(26)20(27)11-16)30-14-21(22)31-24(25(32)34)17-4-6-18(35-2)7-5-17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,28,33)(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta6-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50258197 (CHEMBL495191 | N-(2-(6-(3,4-dichlorobenzylamino)-2...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23Cl2N5O3/c1-15(33)28-11-12-32-24-21(30-23(25(32)34)17-4-6-18(35-2)7-5-17)9-10-22(31-24)29-14-16-3-8-19(26)20(27)13-16/h3-10,13H,11-12,14H2,1-2H3,(H,28,33)(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta5-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50258014 (CHEMBL494750 | N-(2-(2-(3,4-dichlorobenzylamino)-6...) Show SMILES COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C24H22Cl2N6O3/c1-14(33)27-9-10-32-22-20(30-21(23(32)34)16-4-6-17(35-2)7-5-16)13-29-24(31-22)28-12-15-3-8-18(25)19(26)11-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,27,33)(H,28,29,31)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta5-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Acyl-CoA (8-3)-desaturase (Rattus norvegicus)	BDBM50257808 (CHEMBL495001 | N-(2-(6-(3,4-dichlorobenzylamino)-3...) Show SMILES CC(=O)NCCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ccc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C23H20Cl2N6O2/c1-14(32)27-9-10-31-22-19(29-21(23(31)33)16-3-2-8-26-13-16)6-7-20(30-22)28-12-15-4-5-17(24)18(25)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,27,32)(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of rat microsomal Delta5-desaturase				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257860 (CHEMBL495194 | N-(2-(7-(3,4-dichlorobenzylamino)-3...) Show SMILES COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23Cl2N5O3/c1-15(33)28-9-10-32-22-12-23(29-13-16-3-8-19(26)20(27)11-16)30-14-21(22)31-24(25(32)34)17-4-6-18(35-2)7-5-17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,28,33)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258154 (3-(2-(3,4-dichlorobenzylamino)-7-oxo-6-(pyridin-3-...) Show SMILES NC(=O)CCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ncc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C21H17Cl2N7O2/c22-14-4-3-12(8-15(14)23)9-26-21-27-11-16-19(29-21)30(7-5-17(24)31)20(32)18(28-16)13-2-1-6-25-10-13/h1-4,6,8,10-11H,5,7,9H2,(H2,24,31)(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257862 (CHEMBL522883 | N-(2-(7-(3,4-dichlorobenzylamino)-2...) Show SMILES CC(=O)NCCn1c2cc(NCc3ccc(Cl)c(Cl)c3)ncc2nc(-c2ccc(C)cc2)c1=O Show InChI InChI=1S/C25H23Cl2N5O2/c1-15-3-6-18(7-4-15)24-25(34)32(10-9-28-16(2)33)22-12-23(30-14-21(22)31-24)29-13-17-5-8-19(26)20(27)11-17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,28,33)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258241 (CHEMBL494032 | N-(2-(2-(4-methoxyphenyl)-3-oxo-6-(...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C26H24F3N5O3/c1-16(35)30-12-13-34-24-21(32-23(25(34)36)18-6-8-20(37-2)9-7-18)10-11-22(33-24)31-15-17-4-3-5-19(14-17)26(27,28)29/h3-11,14H,12-13,15H2,1-2H3,(H,30,35)(H,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258240 (CHEMBL494031 | N-(2-(6-(3-chloro-4-fluorobenzylami...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(F)c(Cl)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23ClFN5O3/c1-15(33)28-11-12-32-24-21(30-23(25(32)34)17-4-6-18(35-2)7-5-17)9-10-22(31-24)29-14-16-3-8-20(27)19(26)13-16/h3-10,13H,11-12,14H2,1-2H3,(H,28,33)(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257501 (CHEMBL522492 | N-(2-(6-(3,5-bis(trifluoromethyl)be...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C27H23F6N5O3/c1-15(39)34-9-10-38-24-21(36-23(25(38)40)17-3-5-20(41-2)6-4-17)7-8-22(37-24)35-14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h3-8,11-13H,9-10,14H2,1-2H3,(H,34,39)(H,35,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258197 (CHEMBL495191 | N-(2-(6-(3,4-dichlorobenzylamino)-2...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23Cl2N5O3/c1-15(33)28-11-12-32-24-21(30-23(25(32)34)17-4-6-18(35-2)7-5-17)9-10-22(31-24)29-14-16-3-8-19(26)20(27)13-16/h3-10,13H,11-12,14H2,1-2H3,(H,28,33)(H,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258155 (3-(7-oxo-6-(pyridin-3-yl)-2-(3-(trifluoromethyl)be...) Show SMILES NC(=O)CCn1c2nc(NCc3cccc(c3)C(F)(F)F)ncc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C22H18F3N7O2/c23-22(24,25)15-5-1-3-13(9-15)10-28-21-29-12-16-19(31-21)32(8-6-17(26)33)20(34)18(30-16)14-4-2-7-27-11-14/h1-5,7,9,11-12H,6,8,10H2,(H2,26,33)(H,28,29,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257700 (CHEMBL493929 | N-(2-(2-(4-methoxyphenyl)-6-(3-meth...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(C)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C26H27N5O3/c1-17-5-4-6-19(15-17)16-28-23-12-11-22-25(30-23)31(14-13-27-18(2)32)26(33)24(29-22)20-7-9-21(34-3)10-8-20/h4-12,15H,13-14,16H2,1-3H3,(H,27,32)(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258238 (CHEMBL494023 | N-(2-(6-(3-chlorobenzylamino)-2-(4-...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(Cl)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H24ClN5O3/c1-16(32)27-12-13-31-24-21(29-23(25(31)33)18-6-8-20(34-2)9-7-18)10-11-22(30-24)28-15-17-4-3-5-19(26)14-17/h3-11,14H,12-13,15H2,1-2H3,(H,27,32)(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258198 (CHEMBL495356 | N-(2-(6-(4-chlorobenzylamino)-2-(4-...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)cc3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H24ClN5O3/c1-16(32)27-13-14-31-24-21(29-23(25(31)33)18-5-9-20(34-2)10-6-18)11-12-22(30-24)28-15-17-3-7-19(26)8-4-17/h3-12H,13-15H2,1-2H3,(H,27,32)(H,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257759 (3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl...) Show SMILES CNC(=O)CCn1c2nc(NCc3cccc(c3)C(F)(F)F)ccc2nc(-c2ccc(OC)cc2)c1=O Show InChI InChI=1S/C26H24F3N5O3/c1-30-22(35)12-13-34-24-20(32-23(25(34)36)17-6-8-19(37-2)9-7-17)10-11-21(33-24)31-15-16-4-3-5-18(14-16)26(27,28)29/h3-11,14H,12-13,15H2,1-2H3,(H,30,35)(H,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257810 (CHEMBL521865 | N-(2-(3-oxo-2-(pyridin-3-yl)-6-(3-(...) Show SMILES CC(=O)NCCn1c2nc(NCc3cccc(c3)C(F)(F)F)ccc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C24H21F3N6O2/c1-15(34)29-10-11-33-22-19(31-21(23(33)35)17-5-3-9-28-14-17)7-8-20(32-22)30-13-16-4-2-6-18(12-16)24(25,26)27/h2-9,12,14H,10-11,13H2,1H3,(H,29,34)(H,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257966 (CHEMBL494747 | N-(2-(7-(3,4-dimethylbenzylamino)-3...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3ccc(C)c(C)c3)cc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C28H30N4O3/c1-18-5-6-21(15-19(18)2)17-30-23-9-12-25-26(16-23)32(14-13-29-20(3)33)28(34)27(31-25)22-7-10-24(35-4)11-8-22/h5-12,15-16,30H,13-14,17H2,1-4H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258102 (3-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCC(N)=O)c1=O Show InChI InChI=1S/C23H20Cl2N6O3/c1-34-15-5-3-14(4-6-15)20-22(33)31(9-8-19(26)32)21-18(29-20)12-28-23(30-21)27-11-13-2-7-16(24)17(25)10-13/h2-7,10,12H,8-9,11H2,1H3,(H2,26,32)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257658 (CHEMBL492498 | N-(2-(2-(4-methoxyphenyl)-3-oxo-6-(...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cc(ccn3)C(F)(F)F)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C25H23F3N6O3/c1-15(35)29-11-12-34-23-20(32-22(24(34)36)16-3-5-19(37-2)6-4-16)7-8-21(33-23)31-14-18-13-17(9-10-30-18)25(26,27)28/h3-10,13H,11-12,14H2,1-2H3,(H,29,35)(H,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50257499 (CHEMBL493134 | N-(2-(2-(4-methoxyphenyl)-3-oxo-6-(...) Show SMILES COc1ccc(cc1)-c1nc2ccc(NCc3cccc(OC(F)(F)F)c3)nc2n(CCNC(C)=O)c1=O Show InChI InChI=1S/C26H24F3N5O4/c1-16(35)30-12-13-34-24-21(32-23(25(34)36)18-6-8-19(37-2)9-7-18)10-11-22(33-24)31-15-17-4-3-5-20(14-17)38-26(27,28)29/h3-11,14H,12-13,15H2,1-2H3,(H,30,35)(H,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50258153 (CHEMBL494827 | N-(2-(2-(3,4-dichlorobenzylamino)-7...) Show SMILES CC(=O)NCCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ncc2nc(-c2cccnc2)c1=O Show InChI InChI=1S/C22H19Cl2N7O2/c1-13(32)26-7-8-31-20-18(29-19(21(31)33)15-3-2-6-25-11-15)12-28-22(30-20)27-10-14-4-5-16(23)17(24)9-14/h2-6,9,11-12H,7-8,10H2,1H3,(H,26,32)(H,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of Delta9-desaturase in human HepG2 cells				Bioorg Med Chem Lett 19: 2048-52 (2009) Article DOI: 10.1016/j.bmcl.2009.02.019 BindingDB Entry DOI: 10.7270/Q2XG9R1S
					More data for this Ligand-Target Pair

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