Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'trinh' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA desaturase 1 (Mus musculus)	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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	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 mouse SCD-1				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 desaturase 1 (Mus musculus)	BDBM50362586 (CHEMBL1938874) Show SMILES COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C19H20ClN7O3S/c1-30-13-2-3-14(20)15(4-13)25-6-11-8-26(9-12(11)7-25)19-21-5-16(31-19)18-22-24-27(23-18)10-17(28)29/h2-5,11-12H,6-10H2,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	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 mouse SCD-1				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362586 (CHEMBL1938874) Show SMILES COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C19H20ClN7O3S/c1-30-13-2-3-14(20)15(4-13)25-6-11-8-26(9-12(11)7-25)19-21-5-16(31-19)18-22-24-27(23-18)10-17(28)29/h2-5,11-12H,6-10H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				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 desaturase 1 (Mus musculus)	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)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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 mouse SCD-1				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 desaturase 1 (Mus musculus)	BDBM50362587 (CHEMBL1938875) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCN(CC1)c1cc(F)ccc1Cl Show InChI InChI=1S/C16H15ClFN7O2S/c17-11-2-1-10(18)7-12(11)23-3-5-24(6-4-23)16-19-8-13(28-16)15-20-22-25(21-15)9-14(26)27/h1-2,7-8H,3-6,9H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	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 mouse SCD-1				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 desaturase 1 (Rattus norvegicus (Rat))	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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				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
Stearoyl-CoA 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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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 SCD-1				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362587 (CHEMBL1938875) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCN(CC1)c1cc(F)ccc1Cl Show InChI InChI=1S/C16H15ClFN7O2S/c17-11-2-1-10(18)7-12(11)23-3-5-24(6-4-23)16-19-8-13(28-16)15-20-22-25(21-15)9-14(26)27/h1-2,7-8H,3-6,9H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362588 (CHEMBL1938876) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175297 (CHEMBL3810245) Show SMILES CC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O2S/c1-12(13-3-2-4-14(7-13)21(22,23)24)19-25-9-17(28-19)29-6-5-15(8-18(29)30)27-20(31)16-10-32-11-26-16/h2-12H,1H3,(H,25,28)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362584 (CHEMBL1938872) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O2S/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)18-21-4-15(30-18)17-22-24-27(23-17)9-16(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362591 (CHEMBL1938879) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCC2(CN(C2)c2cc(F)ccc2Cl)CC1 Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)27-10-19(11-27)3-5-26(6-4-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362589 (CHEMBL1938877) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CN(C2)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H15ClFN7O2S/c18-11-2-1-10(19)3-12(11)24-6-17(7-24)8-25(9-17)16-20-4-13(29-16)15-21-23-26(22-15)5-14(27)28/h1-4H,5-9H2,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362585 (CHEMBL1938873) Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H16ClFN8O2S/c18-12-2-1-11(19)3-13(12)25-4-9-6-26(7-10(9)5-25)17-22-21-16(30-17)15-20-24-27(23-15)8-14(28)29/h1-3,9-10H,4-8H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362589 (CHEMBL1938877) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CN(C2)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H15ClFN7O2S/c18-11-2-1-10(19)3-12(11)24-6-17(7-24)8-25(9-17)16-20-4-13(29-16)15-21-23-26(22-15)5-14(27)28/h1-4H,5-9H2,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362586 (CHEMBL1938874) Show SMILES COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C19H20ClN7O3S/c1-30-13-2-3-14(20)15(4-13)25-6-11-8-26(9-12(11)7-25)19-21-5-16(31-19)18-22-24-27(23-18)10-17(28)29/h2-5,11-12H,6-10H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	113	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362590 (CHEMBL1938878) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CCN(CC2)c1cc(F)ccc1Cl Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)26-5-3-19(4-6-26)10-27(11-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	128	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 SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362587 (CHEMBL1938875) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCN(CC1)c1cc(F)ccc1Cl Show InChI InChI=1S/C16H15ClFN7O2S/c17-11-2-1-10(18)7-12(11)23-3-5-24(6-4-23)16-19-8-13(28-16)15-20-22-25(21-15)9-14(26)27/h1-2,7-8H,3-6,9H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	134	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175302 (CHEMBL3808401) Show SMILES CC(C)CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5O3S/c1-14(2)10-23(35,15-4-3-5-16(8-15)24(25,26)27)22-28-11-19(31-22)32-7-6-17(9-20(32)33)30-21(34)18-12-36-13-29-18/h3-9,11-14,35H,10H2,1-2H3,(H,28,31)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50362588 (CHEMBL1938876) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				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
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50175303 (CHEMBL3810042) Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	198	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362584 (CHEMBL1938872) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O2S/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)18-21-4-15(30-18)17-22-24-27(23-17)9-16(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	233	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				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
Stearoyl-CoA desaturase 5 (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)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	242	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 SCD-5				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362585 (CHEMBL1938873) Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H16ClFN8O2S/c18-12-2-1-11(19)3-13(12)25-4-9-6-26(7-10(9)5-25)17-22-21-16(30-17)15-20-24-27(23-15)8-14(28)29/h1-3,9-10H,4-8H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362591 (CHEMBL1938879) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCC2(CN(C2)c2cc(F)ccc2Cl)CC1 Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)27-10-19(11-27)3-5-26(6-4-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	438	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				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 desaturase 1 (Rattus norvegicus (Rat))	BDBM50362590 (CHEMBL1938878) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2(C1)CCN(CC2)c1cc(F)ccc1Cl Show InChI InChI=1S/C19H19ClFN7O2S/c20-13-2-1-12(21)7-14(13)26-5-3-19(4-6-26)10-27(11-19)18-22-8-15(31-18)17-23-25-28(24-17)9-16(29)30/h1-2,7-8H,3-6,9-11H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	506	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 SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa...				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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175303 (CHEMBL3810042) Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50175304 (CHEMBL3808842) Show SMILES CC(c1cccc(c1)C(F)(F)F)n1cnc(c1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H16F3N5O2S/c1-13(14-3-2-4-15(7-14)21(22,23)24)28-9-18(25-11-28)29-6-5-16(8-19(29)30)27-20(31)17-10-32-12-26-17/h2-13H,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50175296 (CHEMBL3809896) Show SMILES FC(F)(F)c1cccc(Cn2cnc(c2)-n2ccc(NC(=O)c3cscn3)cc2=O)c1 Show InChI InChI=1S/C20H14F3N5O2S/c21-20(22,23)14-3-1-2-13(6-14)8-27-9-17(24-11-27)28-5-4-15(7-18(28)29)26-19(30)16-10-31-12-25-16/h1-7,9-12H,8H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175296 (CHEMBL3809896) Show SMILES FC(F)(F)c1cccc(Cn2cnc(c2)-n2ccc(NC(=O)c3cscn3)cc2=O)c1 Show InChI InChI=1S/C20H14F3N5O2S/c21-20(22,23)14-3-1-2-13(6-14)8-27-9-17(24-11-27)28-5-4-15(7-18(28)29)26-19(30)16-10-31-12-25-16/h1-7,9-12H,8H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175304 (CHEMBL3808842) Show SMILES CC(c1cccc(c1)C(F)(F)F)n1cnc(c1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H16F3N5O2S/c1-13(14-3-2-4-15(7-14)21(22,23)24)28-9-18(25-11-28)29-6-5-16(8-19(29)30)27-20(31)17-10-32-12-26-17/h2-13H,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362586 (CHEMBL1938874) Show SMILES COc1ccc(Cl)c(c1)N1CC2CN(CC2C1)c1ncc(s1)-c1nnn(CC(O)=O)n1 Show InChI InChI=1S/C19H20ClN7O3S/c1-30-13-2-3-14(20)15(4-13)25-6-11-8-26(9-12(11)7-25)19-21-5-16(31-19)18-22-24-27(23-18)10-17(28)29/h2-5,11-12H,6-10H2,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.45E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175299 (CHEMBL3808805) Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362587 (CHEMBL1938875) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CCN(CC1)c1cc(F)ccc1Cl Show InChI InChI=1S/C16H15ClFN7O2S/c17-11-2-1-10(18)7-12(11)23-3-5-24(6-4-23)16-19-8-13(28-16)15-20-22-25(21-15)9-14(26)27/h1-2,7-8H,3-6,9H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				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
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50175298 (CHEMBL3809890) Show SMILES OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H14F3N5O3S/c21-20(22,23)12-3-1-2-11(6-12)17(30)18-24-8-15(27-18)28-5-4-13(7-16(28)29)26-19(31)14-9-32-10-25-14/h1-10,17,30H,(H,24,27)(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50093526 (CHEMBL426373 | RK-682) Show SMILES CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@@H](CO)OC1=O |r,c:17| Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18,22,24H,2-16H2,1H3/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Natural Product and Medicinal Chemistry Lab, Faculty of Chemistry, VNUHCM-University of Science, 227 Nguyen Van Cu, Ho Chi Minh City, Viet Nam. Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B pre-incubated for 10 mins before pnitrophenyl phosphate substrate addition and measured every 30 secs for 10 mi...				Bioorg Med Chem Lett 27: 3301-3304 (2017) Article DOI: 10.1016/j.bmcl.2017.06.021 BindingDB Entry DOI: 10.7270/Q20Z75QD
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50175299 (CHEMBL3808805) Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175298 (CHEMBL3809890) Show SMILES OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H14F3N5O3S/c21-20(22,23)12-3-1-2-11(6-12)17(30)18-24-8-15(27-18)28-5-4-13(7-16(28)29)26-19(31)14-9-32-10-25-14/h1-10,17,30H,(H,24,27)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50268304 (CHEMBL4086905) Show SMILES CC(C)(C=C)c1cc(O)c2oc3c(O)c4OC(C)(C)C=Cc4cc3c(=O)c2c1O |c:19| Show InChI InChI=1S/C23H22O6/c1-6-22(2,3)13-10-14(24)21-15(17(13)26)16(25)12-9-11-7-8-23(4,5)29-19(11)18(27)20(12)28-21/h6-10,24,26-27H,1H2,2-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Natural Product and Medicinal Chemistry Lab, Faculty of Chemistry, VNUHCM-University of Science, 227 Nguyen Van Cu, Ho Chi Minh City, Viet Nam. Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B pre-incubated for 10 mins before pnitrophenyl phosphate substrate addition and measured every 30 secs for 10 mi...				Bioorg Med Chem Lett 27: 3301-3304 (2017) Article DOI: 10.1016/j.bmcl.2017.06.021 BindingDB Entry DOI: 10.7270/Q20Z75QD
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362588 (CHEMBL1938876) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl |r| Show InChI InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.14E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				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
Stearoyl-CoA 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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				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
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362585 (CHEMBL1938873) Show SMILES OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C17H16ClFN8O2S/c18-12-2-1-11(19)3-13(12)25-4-9-6-26(7-10(9)5-25)17-22-21-16(30-17)15-20-24-27(23-15)8-14(28)29/h1-3,9-10H,4-8H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175300 (CHEMBL3810414) Show SMILES Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-4-3-5-14(8-13)21(2,29)20-22-10-17(25-20)26-7-6-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50175301 (CHEMBL3809367) Show SMILES Cc1ccc(cc1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-3-5-14(6-4-13)21(2,29)20-22-10-17(25-20)26-8-7-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50362584 (CHEMBL1938872) Show SMILES OC(=O)Cn1nnc(n1)-c1cnc(s1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O2S/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)18-21-4-15(30-18)17-22-24-27(23-17)9-16(28)29/h1-4,10-11H,5-9H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.54E+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 SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA des...				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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50175299 (CHEMBL3808805) Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50175301 (CHEMBL3809367) Show SMILES Cc1ccc(cc1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-3-5-14(6-4-13)21(2,29)20-22-10-17(25-20)26-8-7-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50175300 (CHEMBL3810414) Show SMILES Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-4-3-5-14(8-13)21(2,29)20-22-10-17(25-20)26-7-6-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50268289 (CHEMBL4089362) Show SMILES CC(C)(C=C)c1cc(O)c2oc3c(O)c4occc4cc3c(=O)c2c1O Show InChI InChI=1S/C20H16O6/c1-4-20(2,3)11-8-12(21)19-13(15(11)23)14(22)10-7-9-5-6-25-17(9)16(24)18(10)26-19/h4-8,21,23-24H,1H2,2-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Natural Product and Medicinal Chemistry Lab, Faculty of Chemistry, VNUHCM-University of Science, 227 Nguyen Van Cu, Ho Chi Minh City, Viet Nam. Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B pre-incubated for 10 mins before pnitrophenyl phosphate substrate addition and measured every 30 secs for 10 mi...				Bioorg Med Chem Lett 27: 3301-3304 (2017) Article DOI: 10.1016/j.bmcl.2017.06.021 BindingDB Entry DOI: 10.7270/Q20Z75QD
					More data for this Ligand-Target Pair

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