Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA 6-desaturase'   

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 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 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 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 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 (Homo sapiens (Human))	BDBM50312701 (5-methyl-3-(2-(4-(2-(trifluoromethyl)phenoxy)piper...) Show SMILES Cc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-11-23-16(24-27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of delta6 desaturase in human HepG2 cells assessed as [14C]linolenic acid to [14C]eicosatetraenoic acid conversion pretreated 15 mins befo...				Bioorg Med Chem Lett 20: 1593-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.083 BindingDB Entry DOI: 10.7270/Q2DJ5FR0
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50535222 (CHEMBL4439992) Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of D6D in Sprague-Dawley rat liver microsomes using [14C]LA as substrate preincubated for 5 mins measured after 30 mins				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50301057 (2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...) Show SMILES NC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C16H15F3N4O2S/c17-16(18,19)11-4-2-1-3-10(11)14(25)22-5-7-23(8-6-22)15-21-9-12(26-15)13(20)24/h1-4,9H,5-8H2,(H2,20,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to delta-6 saturase in human HepG2 cells by whole cell assay				Bioorg Med Chem Lett 19: 5214-7 (2009) Article DOI: 10.1016/j.bmcl.2009.07.015 BindingDB Entry DOI: 10.7270/Q2V9884M
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50116708 (CHEMBL2263368) Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of D6D in Sprague-Dawley rat liver microsomes using [14C]LA as substrate preincubated for 5 mins measured after 30 mins				ACS Med Chem Lett 7: 868-72 (2016) Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50364036 (CHEMBL1950546) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1 Show InChI InChI=1S/C15H13BrFN5O5/c16-10-3-2-9(17)6-11(10)25-4-1-5-26-13-7-12(27-20-13)15-18-21-22(19-15)8-14(23)24/h2-3,6-7H,1,4-5,8H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of delta-6 desaturase expressed in HepG2 cells				Bioorg Med Chem Lett 22: 623-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.070 BindingDB Entry DOI: 10.7270/Q26M379R
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Mus musculus)	BDBM50259087 (CHEMBL467716 | benzyl 3-(3,4-dichlorobenzylcarbamo...) Show SMILES Clc1ccc(CNC(=O)c2cc(NC(=O)OCc3ccccc3)ccc2Oc2cccnc2)cc1Cl Show InChI InChI=1S/C27H21Cl2N3O4/c28-23-10-8-19(13-24(23)29)15-31-26(33)22-14-20(9-11-25(22)36-21-7-4-12-30-16-21)32-27(34)35-17-18-5-2-1-3-6-18/h1-14,16H,15,17H2,(H,31,33)(H,32,34)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of delta(6)-desaturase in mouse ABMC7 cells by high throughput radioassay				Bioorg Med Chem Lett 19: 3050-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.004 BindingDB Entry DOI: 10.7270/Q2W095TX
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50298898 (2-hydroxy-N-(2-(3-methyl-2-oxo-7-(3-(trifluorometh...) Show SMILES Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O Show InChI InChI=1S/C21H21F3N4O3/c1-13-20(31)28(8-7-25-19(30)12-29)18-10-16(5-6-17(18)27-13)26-11-14-3-2-4-15(9-14)21(22,23)24/h2-6,9-10,26,29H,7-8,11-12H2,1H3,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of stearoyl-CoA delta6 desaturase in rat microsome				Bioorg Med Chem Lett 19: 4070-4 (2009) Article DOI: 10.1016/j.bmcl.2009.06.017 BindingDB Entry DOI: 10.7270/Q2959HN8
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Mus musculus)	BDBM50259175 (CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...) Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc Curated by ChEMBL					Assay Description Inhibition of delta(6)-desaturase in mouse ABMC7 cells by high throughput radioassay				Bioorg Med Chem Lett 19: 3050-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.004 BindingDB Entry DOI: 10.7270/Q2W095TX
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50362583 (CHEMBL1938871) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human delta-6 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer				Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50393166 (CHEMBL2153601) Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C16H15BrFN7O3S/c17-11-2-1-9(18)7-12(11)28-10-3-5-24(6-4-10)16-21-20-15(29-16)14-19-23-25(22-14)8-13(26)27/h1-2,7,10H,3-6,8H2,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat delta-6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50305768 (2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...) Show SMILES Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat delta-6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50362592 (CHEMBL1938870) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat delta-6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50393164 (CHEMBL2153599) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nnc(s1)-c1nnn[nH]1 Show InChI InChI=1S/C15H14F3N7OS/c16-15(17,18)10-3-1-2-4-11(10)26-9-5-7-25(8-6-9)14-22-21-13(27-14)12-19-23-24-20-12/h1-4,9H,5-8H2,(H,19,20,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50393165 (CHEMBL2153600) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1 Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat delta-6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50393166 (CHEMBL2153601) Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C16H15BrFN7O3S/c17-11-2-1-9(18)7-12(11)28-10-3-5-24(6-4-10)16-21-20-15(29-16)14-19-23-25(22-14)8-13(26)27/h1-2,7,10H,3-6,8H2,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50305768 (2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...) Show SMILES Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F Show InChI InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50362592 (CHEMBL1938870) Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br Show InChI InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Rattus norvegicus)	BDBM50393164 (CHEMBL2153599) Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1nnc(s1)-c1nnn[nH]1 Show InChI InChI=1S/C15H14F3N7OS/c16-15(17,18)10-3-1-2-4-11(10)26-9-5-7-25(8-6-9)14-22-21-13(27-14)12-19-23-24-20-12/h1-4,9H,5-8H2,(H,19,20,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of rat delta-6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair
Acyl-CoA 6-desaturase (Homo sapiens (Human))	BDBM50393165 (CHEMBL2153600) Show SMILES Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1 Show InChI InChI=1S/C14H13BrFN7OS/c15-10-2-1-8(16)7-11(10)24-9-3-5-23(6-4-9)14-20-19-13(25-14)12-17-21-22-18-12/h1-2,7,9H,3-6H2,(H,17,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells				J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP
					More data for this Ligand-Target Pair