Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'gotteland' and Initial = 'jp'   

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
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032850 (CHEMBL27885 | [3-([3,3']Bithiophenyl-5-ylmethoxy)-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1 Show InChI InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032836 (4-[(3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C28H36N2OSi/c1-7-30(19-10-8-9-18-28(2,3)4)22-25-12-11-13-26(20-25)31-23-32(5,6)27-16-14-24(21-29)15-17-27/h8,10-17,20H,7,19,22-23H2,1-6H3/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring the extend of cholesterol radiolabeling after incubation with [14C]-...				Bioorg Med Chem Lett 7: 1153-1156 (1997) Article DOI: 10.1016/S0960-894X(97)00175-3 BindingDB Entry DOI: 10.7270/Q2R49QRS
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032836 (4-[(3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C28H36N2OSi/c1-7-30(19-10-8-9-18-28(2,3)4)22-25-12-11-13-26(20-25)31-23-32(5,6)27-16-14-24(21-29)15-17-27/h8,10-17,20H,7,19,22-23H2,1-6H3/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032843 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-{3-[(dimethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1 Show InChI InChI=1S/C28H39NOSi/c1-8-29(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)30-23-31(6,7)27-18-11-10-15-24(27)2/h9-11,13-18,21H,8,20,22-23H2,1-7H3/b13-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of pig liver microsomal squalene epoxidase.				Bioorg Med Chem Lett 6: 533-538 (1996) Article DOI: 10.1016/0960-894X(96)00063-7 BindingDB Entry DOI: 10.7270/Q23J3D05
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032843 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-{3-[(dimethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1 Show InChI InChI=1S/C28H39NOSi/c1-8-29(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)30-23-31(6,7)27-18-11-10-15-24(27)2/h9-11,13-18,21H,8,20,22-23H2,1-7H3/b13-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032853 (2-[(3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C#N)c1 Show InChI InChI=1S/C28H36N2OSi/c1-7-30(19-12-8-11-18-28(2,3)4)22-24-14-13-16-26(20-24)31-23-32(5,6)27-17-10-9-15-25(27)21-29/h8-10,12-17,20H,7,19,22-23H2,1-6H3/b12-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50169985 (4-(2-(4-(benzo[d]thiazol-2(3H)-ylidene(cyano)methy...) Show SMILES NS(=O)(=O)c1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C21H18N6O2S2/c22-13-16(20-26-18-3-1-2-4-19(18)30-20)17-10-12-25-21(27-17)24-11-9-14-5-7-15(8-6-14)31(23,28)29/h1-8,10,12,16H,9,11H2,(H2,23,28,29)(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070340 (CHEMBL281025 | Thiophene-2-sulfonic acid [2-(3-{[(...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C25H34N2O3S2/c1-6-27(16-9-7-8-15-25(2,3)4)21-22-12-10-13-23(20-22)30-18-17-26(5)32(28,29)24-14-11-19-31-24/h7,9-14,19-20H,6,16-18,21H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of pig liver squalene epoxidase in HepG2 cells				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032856 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-(3-{[(4-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(F)cc2)c1 Show InChI InChI=1S/C27H36FNOSi/c1-7-29(19-10-8-9-18-27(2,3)4)21-23-12-11-13-25(20-23)30-22-31(5,6)26-16-14-24(28)15-17-26/h8,10-17,20H,7,19,21-22H2,1-6H3/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070340 (CHEMBL281025 | Thiophene-2-sulfonic acid [2-(3-{[(...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C25H34N2O3S2/c1-6-27(16-9-7-8-15-25(2,3)4)21-22-12-10-13-23(20-22)30-18-17-26(5)32(28,29)24-14-11-19-31-24/h7,9-14,19-20H,6,16-18,21H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against cholesteryl ester transfer protein				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50169980 (CHEMBL363254 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES Cn1cnc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)c1 Show InChI InChI=1S/C19H17N7S/c1-26-11-13(23-12-26)6-8-21-19-22-9-7-15(25-19)14(10-20)18-24-16-4-2-3-5-17(16)27-18/h2-5,7,9,11-12,14H,6,8H2,1H3,(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032837 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-(3-{[dimethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C=C)cc2)c1 Show InChI InChI=1S/C29H39NOSi/c1-8-25-16-18-28(19-17-25)32(6,7)24-31-27-15-13-14-26(22-27)23-30(9-2)21-12-10-11-20-29(3,4)5/h8,10,12-19,22H,1,9,21,23-24H2,2-7H3/b12-10+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50169959 (2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1 Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of c-Jun N-Terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032847 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-(3-{[dimethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C28H36F3NOSi/c1-7-32(19-12-8-11-18-27(2,3)4)21-23-14-13-15-24(20-23)33-22-34(5,6)26-17-10-9-16-25(26)28(29,30)31/h8-10,12-17,20H,7,19,21-22H2,1-6H3/b12-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032830 (CHEMBL107568 | {3-[(Dimethyl-o-tolyl-silanyl)-meth...) Show SMILES CCN(CC#CC#CC(C)(C)OC)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1 Show InChI InChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070340 (CHEMBL281025 | Thiophene-2-sulfonic acid [2-(3-{[(...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C25H34N2O3S2/c1-6-27(16-9-7-8-15-25(2,3)4)21-22-12-10-13-23(20-22)30-18-17-26(5)32(28,29)24-14-11-19-31-24/h7,9-14,19-20H,6,16-18,21H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against cholesteryl ester transfer protein, reported from fungus				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50169998 (CHEMBL191581 | CHEMBL254651 | [3H-Benzothiazol-(2Z...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cnc[nH]2)n1 Show InChI InChI=1S/C18H15N7S/c19-9-13(17-24-15-3-1-2-4-16(15)26-17)14-6-8-22-18(25-14)21-7-5-12-10-20-11-23-12/h1-4,6,8,10-11,13H,5,7H2,(H,20,23)(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50170008 (CHEMBL372708 | {2-[2-(4-Amino-phenyl)-ethylamino]-...) Show SMILES Nc1ccc(CCNc2nccc(n2)C(C#N)c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C21H18N6S/c22-13-16(20-26-18-3-1-2-4-19(18)28-20)17-10-12-25-21(27-17)24-11-9-14-5-7-15(23)8-6-14/h1-8,10,12,16H,9,11,23H2,(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070337 (CHEMBL27154 | [3,3']Bithiophenyl-5-sulfonic acid [...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cc(cs2)-c2ccsc2)c1 Show InChI InChI=1S/C29H36N2O3S3/c1-6-31(15-9-7-8-14-29(2,3)4)21-24-11-10-12-27(19-24)34-17-16-30(5)37(32,33)28-20-26(23-36-28)25-13-18-35-22-25/h7,9-13,18-20,22-23H,6,15-17,21H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032848 ((6,6-Dimethyl-hepta-2,4-diynyl)-{3-[(dimethyl-o-to...) Show SMILES CCN(CC#CC#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1 Show InChI InChI=1S/C28H37NOSi/c1-8-29(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)30-23-31(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070344 (CHEMBL26950 | Thiophene-2-sulfonic acid [2-(3-{[((...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(CC)S(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C26H36N2O3S2/c1-6-27(17-10-8-9-16-26(3,4)5)22-23-13-11-14-24(21-23)31-19-18-28(7-2)33(29,30)25-15-12-20-32-25/h8,10-15,20-21H,6-7,17-19,22H2,1-5H3/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50288841 ((3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-ami...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(NC[Si](C)(C)c2ccccc2C)c1 Show InChI InChI=1S/C28H40N2Si/c1-8-30(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)29-23-31(6,7)27-18-11-10-15-24(27)2/h9-11,13-18,21,29H,8,20,22-23H2,1-7H3/b13-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of pig liver microsomal squalene epoxidase.				Bioorg Med Chem Lett 6: 533-538 (1996) Article DOI: 10.1016/0960-894X(96)00063-7 BindingDB Entry DOI: 10.7270/Q23J3D05
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50291660 (CHEMBL16178 | [3-([3,3']Bithiophenyl-5-ylmethoxy)-...) Show SMILES CCN(CC#Cc1ccccc1)Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1 Show InChI InChI=1S/C27H25NOS2/c1-2-28(14-7-11-22-8-4-3-5-9-22)18-23-10-6-12-26(16-23)29-19-27-17-25(21-31-27)24-13-15-30-20-24/h3-6,8-10,12-13,15-17,20-21H,2,14,18-19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring the extend of cholesterol radiolabeling after incubation with [14C]-...				Bioorg Med Chem Lett 7: 1153-1156 (1997) Article DOI: 10.1016/S0960-894X(97)00175-3 BindingDB Entry DOI: 10.7270/Q2R49QRS
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032834 (4-[(3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C=O)cc2)c1 Show InChI InChI=1S/C28H37NO2Si/c1-7-29(19-10-8-9-18-28(2,3)4)21-25-12-11-13-26(20-25)31-23-32(5,6)27-16-14-24(22-30)15-17-27/h8,10-17,20,22H,7,19,21,23H2,1-6H3/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50169959 (2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1 Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032832 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-{3-[(dimethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C)cc2)c1 Show InChI InChI=1S/C28H39NOSi/c1-8-29(20-11-9-10-19-28(3,4)5)22-25-13-12-14-26(21-25)30-23-31(6,7)27-17-15-24(2)16-18-27/h9,11-18,21H,8,20,22-23H2,1-7H3/b11-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032842 (CHEMBL108144 | {3-[(Benzyl-dimethyl-silanyl)-metho...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)Cc2ccccc2)c1 Show InChI InChI=1S/C28H39NOSi/c1-7-29(20-13-9-12-19-28(2,3)4)22-26-17-14-18-27(21-26)30-24-31(5,6)23-25-15-10-8-11-16-25/h8-11,13-18,21H,7,20,22-24H2,1-6H3/b13-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50169999 (CHEMBL371113 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES Cn1cncc1CCNc1nccc(n1)C(C#N)c1nc2ccccc2s1 Show InChI InChI=1S/C19H17N7S/c1-26-12-21-11-13(26)6-8-22-19-23-9-7-15(25-19)14(10-20)18-24-16-4-2-3-5-17(16)27-18/h2-5,7,9,11-12,14H,6,8H2,1H3,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50170017 (CHEMBL189841 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCCn2ccnc2)n1 Show InChI InChI=1S/C19H17N7S/c20-12-14(18-24-16-4-1-2-5-17(16)27-18)15-6-8-23-19(25-15)22-7-3-10-26-11-9-21-13-26/h1-2,4-6,8-9,11,13-14H,3,7,10H2,(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032844 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-{3-[(dimethyl-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2)c1 Show InChI InChI=1S/C27H37NOSi/c1-7-28(20-13-9-12-19-27(2,3)4)22-24-15-14-16-25(21-24)29-23-30(5,6)26-17-10-8-11-18-26/h8-11,13-18,21H,7,20,22-23H2,1-6H3/b13-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50169959 (2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1 Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of c-Jun N-Terminal kinase 1				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50158551 (CHEMBL383955 | N-((5-(4-(1H-benzo[d][1,2,3]triazol...) Show SMILES Clc1ccc(cc1)C(=O)NCc1ccc(s1)S(=O)(=O)N1CCC(CC1)n1nnc2ccccc12 Show InChI InChI=1S/C23H22ClN5O3S2/c24-17-7-5-16(6-8-17)23(30)25-15-19-9-10-22(33-19)34(31,32)28-13-11-18(12-14-28)29-21-4-2-1-3-20(21)26-27-29/h1-10,18H,11-15H2,(H,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human JNK3				J Med Chem 47: 6921-34 (2004) Article DOI: 10.1021/jm031112e BindingDB Entry DOI: 10.7270/Q2XG9QM0
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032840 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-(3-{[(2-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2OC)c1 Show InChI InChI=1S/C28H39NO2Si/c1-8-29(20-13-9-12-19-28(2,3)4)22-24-15-14-16-25(21-24)31-23-32(6,7)27-18-11-10-17-26(27)30-5/h9-11,13-18,21H,8,20,22-23H2,1-7H3/b13-9+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070341 (CHEMBL26151 | Pyridine-3-sulfonic acid [2-(3-{[((E...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccnc2)c1 Show InChI InChI=1S/C26H35N3O3S/c1-6-29(17-9-7-8-15-26(2,3)4)22-23-12-10-13-24(20-23)32-19-18-28(5)33(30,31)25-14-11-16-27-21-25/h7,9-14,16,20-21H,6,17-19,22H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070345 (CHEMBL26964 | Thiophene-2-sulfonic acid [2-(3-{[((...) Show SMILES CCCN(CCOc1cccc(CN(CC)C\C=C\C#CC(C)(C)C)c1)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C27H38N2O3S2/c1-6-17-29(34(30,31)26-15-12-21-33-26)19-20-32-25-14-11-13-24(22-25)23-28(7-2)18-10-8-9-16-27(3,4)5/h8,10-15,21-22H,6-7,17-20,23H2,1-5H3/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070343 (CHEMBL26596 | Thiazole-2-sulfonic acid [2-(3-{[((E...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2nccs2)c1 Show InChI InChI=1S/C24H33N3O3S2/c1-6-27(15-9-7-8-13-24(2,3)4)20-21-11-10-12-22(19-21)30-17-16-26(5)32(28,29)23-25-14-18-31-23/h7,9-12,14,18-19H,6,15-17,20H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070350 (CHEMBL284197 | N-[2-(3-{[((E)-6,6-Dimethyl-hept-2-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)Cc2cccs2)c1 Show InChI InChI=1S/C26H36N2O3S2/c1-6-28(16-9-7-8-15-26(2,3)4)21-23-12-10-13-24(20-23)31-18-17-27(5)33(29,30)22-25-14-11-19-32-25/h7,9-14,19-20H,6,16-18,21-22H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070331 (4-Cyano-N-[2-(3-{[((E)-6,6-dimethyl-hept-2-en-4-yn...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C28H35N3O3S/c1-6-31(18-9-7-8-17-28(2,3)4)23-25-11-10-12-26(21-25)34-20-19-30(5)35(32,33)27-15-13-24(22-29)14-16-27/h7,9-16,21H,6,18-20,23H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070346 (CHEMBL27941 | [2,3']Bithiophenyl-5-sulfonic acid [...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(s2)-c2ccsc2)c1 Show InChI InChI=1S/C29H36N2O3S3/c1-6-31(17-9-7-8-16-29(2,3)4)22-24-11-10-12-26(21-24)34-19-18-30(5)37(32,33)28-14-13-27(36-28)25-15-20-35-23-25/h7,9-15,20-21,23H,6,17-19,22H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50032835 ((3-{[(4-Bromo-phenyl)-dimethyl-silanyl]-methoxy}-b...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(Br)cc2)c1 Show InChI InChI=1S/C27H36BrNOSi/c1-7-29(19-10-8-9-18-27(2,3)4)21-23-12-11-13-25(20-23)30-22-31(5,6)26-16-14-24(28)15-17-26/h8,10-17,20H,7,19,21-22H2,1-6H3/b10-8+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description In vitro inhibitory activity against pig liver microsomal squalene epoxidase				J Med Chem 38: 3207-16 (1995) BindingDB Entry DOI: 10.7270/Q2WQ02TH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50169959 (2-(benzo[d]thiazol-2(3H)-ylidene)-2-(2-(2-(pyridin...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1 Show InChI InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against c-Jun N-Terminal kinase 2				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070342 (CHEMBL26077 | Thiophene-2-sulfonic acid cyclopropy...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C2CC2)S(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C27H36N2O3S2/c1-5-28(17-8-6-7-16-27(2,3)4)22-23-11-9-12-25(21-23)32-19-18-29(24-14-15-24)34(30,31)26-13-10-20-33-26/h6,8-13,20-21,24H,5,14-15,17-19,22H2,1-4H3/b8-6+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50169966 ((2Z)-1,3-benzothiazol-2(3H)-ylidene(2-chloropyrimi...) Show SMILES Clc1nccc(n1)C(C#N)c1nc2ccccc2s1 Show InChI InChI=1S/C13H7ClN4S/c14-13-16-6-5-9(18-13)8(7-15)12-17-10-3-1-2-4-11(10)19-12/h1-6,8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50170001 (CHEMBL364637 | [3H-Benzothiazol-(2Z)-ylidene]-[2-(...) Show SMILES N#CC(c1nc2ccccc2s1)c1ccnc(NCCc2ccccn2)n1 Show InChI InChI=1S/C20H16N6S/c21-13-15(19-25-17-6-1-2-7-18(17)27-19)16-9-12-24-20(26-16)23-11-8-14-5-3-4-10-22-14/h1-7,9-10,12,15H,8,11H2,(H,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070349 (CHEMBL26597 | Thiophene-3-sulfonic acid [2-(3-{[((...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccsc2)c1 Show InChI InChI=1S/C25H34N2O3S2/c1-6-27(15-9-7-8-14-25(2,3)4)20-22-11-10-12-23(19-22)30-17-16-26(5)32(28,29)24-13-18-31-21-24/h7,9-13,18-19,21H,6,15-17,20H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070333 (CHEMBL281666 | N-[2-(3-{[((E)-6,6-Dimethyl-hept-2-...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C27H35FN2O3S/c1-6-30(18-9-7-8-17-27(2,3)4)22-23-11-10-12-25(21-23)33-20-19-29(5)34(31,32)26-15-13-24(28)14-16-26/h7,9-16,21H,6,18-20,22H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50291661 (CHEMBL267332 | [3-(3-Azido-phenyl)-prop-2-ynyl]-[3...) Show SMILES CCN(CC#Cc1cccc(c1)N=[N+]=[N-])Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1 Show InChI InChI=1S/C27H24N4OS2/c1-2-31(12-5-8-21-6-3-9-25(14-21)29-30-28)17-22-7-4-10-26(15-22)32-18-27-16-24(20-34-27)23-11-13-33-19-23/h3-4,6-7,9-11,13-16,19-20H,2,12,17-18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring the extend of cholesterol radiolabeling after incubation with [14C]-...				Bioorg Med Chem Lett 7: 1153-1156 (1997) Article DOI: 10.1016/S0960-894X(97)00175-3 BindingDB Entry DOI: 10.7270/Q2R49QRS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Rattus norvegicus)	BDBM50169965 (CHEMBL363253 | [3H-Benzothiazol-(2Z)-ylidene]-{2-[...) Show SMILES Fc1ccccc1CCNc1nccc(n1)C(C#N)c1nc2ccccc2s1 Show InChI InChI=1S/C21H16FN5S/c22-16-6-2-1-5-14(16)9-11-24-21-25-12-10-17(27-21)15(13-23)20-26-18-7-3-4-8-19(18)28-20/h1-8,10,12,15H,9,11H2,(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of rat c-Jun N-terminal kinase 3				J Med Chem 48: 4596-607 (2005) Article DOI: 10.1021/jm0310986 BindingDB Entry DOI: 10.7270/Q2K9389G
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070348 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-{3-[3-(t...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCCS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C25H33NO3S2/c1-5-26(16-8-6-7-15-25(2,3)4)21-22-12-9-13-23(20-22)29-17-11-19-31(27,28)24-14-10-18-30-24/h6,8-10,12-14,18,20H,5,11,16-17,19,21H2,1-4H3/b8-6+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair
Squalene monooxygenase (Homo sapiens (Human))	BDBM50070339 (4-Bromo-thiophene-2-sulfonic acid [2-(3-{[((E)-6,6...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cc(Br)cs2)c1 Show InChI InChI=1S/C25H33BrN2O3S2/c1-6-28(14-9-7-8-13-25(2,3)4)19-21-11-10-12-23(17-21)31-16-15-27(5)33(29,30)24-18-22(26)20-32-24/h7,9-12,17-18,20H,6,14-16,19H2,1-5H3/b9-7+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.				Bioorg Med Chem Lett 8: 1337-42 (1999) BindingDB Entry DOI: 10.7270/Q2251HB1
					More data for this Ligand-Target Pair

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