Compile Data Set for Download or QSAR

Found 61 hits of ic50 for UniProtKB: P52020   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Squalene monooxygenase (Rattus norvegicus)	BDBM50044104 ((6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-ph...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@H]1[C@@H](O)C2(CCC(=C)C(OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26?,27+,28-,29?,33?,34?,35?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro in rat liver squalene synthase assay (RLSS)				J Med Chem 37: 421-4 (1994) BindingDB Entry DOI: 10.7270/Q2W37VCN
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50044103 ((6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-ph...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@H]1[C@@H](O)C2(CCC(=C)C(OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(=O)OCCC(C)C)C(O)=O Show InChI InChI=1S/C40H56O14/c1-9-24(4)21-25(5)15-16-30(42)52-33-32(43)38(19-17-26(6)31(51-28(8)41)27(7)22-29-13-11-10-12-14-29)53-34(35(44)50-20-18-23(2)3)39(49,36(45)46)40(33,54-38)37(47)48/h10-16,23-25,27,31-34,43,49H,6,9,17-22H2,1-5,7-8H3,(H,45,46)(H,47,48)/b16-15+/t24-,25+,27+,31?,32+,33-,34?,38?,39?,40?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro in rat liver squalene synthase assay (RLSS)				J Med Chem 37: 421-4 (1994) BindingDB Entry DOI: 10.7270/Q2W37VCN
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50044100 ((6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-ph...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@H]1[C@@H](O)C2(CCC(=C)C(OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C42H52O14/c1-7-25(2)22-26(3)18-19-32(44)54-35-34(45)40(21-20-27(4)33(53-29(6)43)28(5)23-30-14-10-8-11-15-30)55-36(37(46)52-24-31-16-12-9-13-17-31)41(51,38(47)48)42(35,56-40)39(49)50/h8-19,25-26,28,33-36,45,51H,4,7,20-24H2,1-3,5-6H3,(H,47,48)(H,49,50)/b19-18+/t25-,26+,28+,33?,34+,35-,36?,40?,41?,42?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro in rat liver squalene synthase assay (RLSS)				J Med Chem 37: 421-4 (1994) BindingDB Entry DOI: 10.7270/Q2W37VCN
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50044102 ((6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-ph...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@H]1[C@@H](O)C2(CCC(=C)C(OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(=O)OC)C(O)=O Show InChI InChI=1S/C36H48O14/c1-8-20(2)18-21(3)14-15-26(38)48-29-28(39)34(49-30(31(40)46-7)35(45,32(41)42)36(29,50-34)33(43)44)17-16-22(4)27(47-24(6)37)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,41,42)(H,43,44)/b15-14+/t20-,21+,23+,27?,28+,29-,30?,34?,35?,36?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro in rat liver squalene synthase assay (RLSS)				J Med Chem 37: 421-4 (1994) BindingDB Entry DOI: 10.7270/Q2W37VCN
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50044101 ((6S,7R)-1-((R)-4-Acetoxy-5-methyl-3-methylene-6-ph...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@H]1[C@@H](O)C2(CCC(=C)C(OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(=O)OC Show InChI InChI=1S/C36H48O14/c1-8-20(2)18-21(3)14-15-26(38)48-29-28(39)34(49-30(31(40)41)35(45,33(44)46-7)36(29,50-34)32(42)43)17-16-22(4)27(47-24(6)37)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)/b15-14+/t20-,21+,23+,27?,28+,29-,30?,34?,35?,36?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro in rat liver squalene synthase assay (RLSS)				J Med Chem 37: 421-4 (1994) BindingDB Entry DOI: 10.7270/Q2W37VCN
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50093887 (3,4,5-Trihydroxy-benzoic acid dodecyl ester | CHEM...) Show SMILES CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50093887 (3,4,5-Trihydroxy-benzoic acid dodecyl ester | CHEM...) Show SMILES CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)				Bioorg Med Chem Lett 10: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2M9096Q
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50281098 (2,2-dimethyl-3-[3,7,12-trimethyl-14-[3-methyl-3-(4...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-[#6]1-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C30H50O2/c1-23(2)13-12-22-30(8)28(32-30)21-19-25(4)15-10-9-14-24(3)16-11-17-26(5)18-20-27-29(6,7)31-27/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-15+,26-17+/t27-,28?,30?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against squalene epoxidase from rat liver microsomes				Bioorg Med Chem Lett 3: 2581-2586 (1993) Article DOI: 10.1016/S0960-894X(01)80720-4 BindingDB Entry DOI: 10.7270/Q24F1QNX
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50240891 (2-(2-{6-[5,7-dihydroxy-3-(3,4,5-trihydroxyphenylca...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r,wD:20.26,7.7,42.46,53.60,(11.23,-10.42,;12.57,-11.18,;12.57,-12.72,;13.91,-13.49,;13.92,-15.03,;15.24,-12.71,;16.57,-13.47,;17.92,-12.7,;19.25,-13.46,;19.26,-15,;17.93,-15.78,;20.6,-15.76,;21.93,-14.99,;23.26,-15.75,;24.59,-14.98,;23.27,-17.3,;24.61,-18.06,;21.94,-18.08,;21.95,-19.62,;20.61,-17.31,;17.91,-11.16,;16.56,-10.39,;15.23,-11.17,;13.9,-10.41,;19.24,-10.38,;20.58,-11.14,;21.91,-10.37,;23.24,-11.13,;21.9,-8.83,;23.23,-8.05,;20.57,-8.06,;20.56,-6.52,;19.23,-8.84,;15.16,-5.73,;13.81,-6.5,;13.82,-8.05,;12.48,-5.73,;11.15,-6.51,;12.47,-4.19,;11.14,-3.43,;13.8,-3.42,;15.15,-4.18,;16.47,-3.41,;17.82,-4.17,;19.15,-3.4,;20.49,-4.16,;21.82,-3.39,;23.15,-4.15,;21.81,-1.85,;20.48,-1.08,;20.47,.46,;19.15,-1.86,;17.81,-1.09,;16.47,-1.87,;15.13,-1.1,;15.13,.44,;16.46,1.22,;13.79,1.21,;12.46,.43,;11.12,1.2,;9.79,.42,;11.12,2.74,;9.78,3.5,;12.45,3.51,;12.44,5.05,;13.78,2.75,)| Show InChI InChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2/t31-,32-,41-,42-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of rat squalene epoxidase				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50241052 (1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...) Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50423642 (CHEMBL39504) Show SMILES Oc1cc(O)c2[C@@H]([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1)c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of rat squalene epoxidase				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250973 (CHEMBL464675 | hexadecyl gallate | n-cetylgallate) Show SMILES CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C23H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-23(27)19-17-20(24)22(26)21(25)18-19/h17-18,24-26H,2-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250504 (1,2,6-tris-O-(3,4,5-trihydroxybenzoyl)-beta-D-gluc...) Show SMILES O[C@H]1[C@H](O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@@H]1COC(=O)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)22(38)23(44-25(40)9-3-13(30)19(35)14(31)4-9)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of rat squalene epoxidase				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50070942 ((-)-Epigallocatechin gallate | (-)-Epigallocatechi...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of rat squalene epoxidase				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50070942 ((-)-Epigallocatechin gallate | (-)-Epigallocatechi...) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)				Bioorg Med Chem Lett 10: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2M9096Q
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250981 (CHEMBL517784 | n-dioctyl 2,2',3,3',4,4'-hexahydrox...) Show SMILES CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCCCC |(-12.43,-8.99,;-11.07,-9.77,;-11.07,-11.33,;-9.72,-12.11,;-9.72,-13.66,;-8.38,-14.44,;-8.38,-16,;-7.03,-16.78,;-7.03,-18.31,;-5.71,-19.07,;-5.71,-20.6,;-4.39,-18.31,;-4.39,-16.77,;-3.06,-16.01,;-3.06,-14.48,;-1.73,-16.77,;-.42,-16.01,;-1.73,-18.3,;-.42,-19.06,;-3.06,-19.06,;-3.06,-21.5,;-4.38,-22.28,;-5.69,-21.51,;-4.37,-23.81,;-5.68,-24.57,;-3.03,-24.56,;-3.03,-26.08,;-1.72,-23.79,;-1.72,-22.26,;-.29,-21.74,;-.24,-20.23,;.87,-22.72,;.81,-24.28,;2.13,-25.1,;2.08,-26.66,;3.4,-27.48,;3.34,-29.04,;4.66,-29.86,;4.61,-31.42,;5.93,-32.25,)| Show InChI InChI=1S/C30H42O10/c1-3-5-7-9-11-13-15-39-29(37)19-17-21(31)25(33)27(35)23(19)24-20(18-22(32)26(34)28(24)36)30(38)40-16-14-12-10-8-6-4-2/h17-18,31-36H,3-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50240376 (3,4,5-Trihydroxy-benzoic acid octyl ester | CHEMBL...) Show SMILES CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250976 (CHEMBL465724 | n-dihexyl 2,2',3,3',4,4'-hexahydrox...) Show SMILES CCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCC |(27.35,7.21,;28.7,6.43,;28.7,4.87,;30.06,4.09,;30.06,2.52,;31.41,1.74,;31.41,.2,;32.74,-.56,;32.74,-2.1,;34.06,.2,;34.07,1.75,;35.4,2.51,;35.4,4.04,;36.73,1.75,;38.05,2.51,;36.73,.21,;38.05,-.56,;35.4,-.55,;35.4,-3.01,;34.08,-3.78,;32.75,-3.02,;34.09,-5.32,;32.77,-6.08,;35.43,-6.08,;35.43,-7.61,;36.74,-5.3,;36.74,-3.77,;38.18,-3.24,;38.23,-1.73,;39.34,-4.23,;39.29,-5.79,;40.61,-6.62,;40.56,-8.18,;41.88,-9.01,;41.83,-10.58,;43.15,-11.4,)| Show InChI InChI=1S/C26H34O10/c1-3-5-7-9-11-35-25(33)15-13-17(27)21(29)23(31)19(15)20-16(14-18(28)22(30)24(20)32)26(34)36-12-10-8-6-4-2/h13-14,27-32H,3-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50286539 (1N-(6-aminohexyl)-4,8,13,17,20N-pentamethyl-(4E,8E...) Show SMILES CNCCC\C(C)=C\CCC(C)=CCC\C=C(/C)CC\C=C(/C)CCCNCCCCCCN Show InChI InChI=1S/C31H59N3/c1-28(18-12-20-30(3)22-14-25-33-5)16-8-9-17-29(2)19-13-21-31(4)23-15-27-34-26-11-7-6-10-24-32/h16-17,20-21,33-34H,6-15,18-19,22-27,32H2,1-5H3/b28-16+,29-17+,30-20+,31-21+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against rat Squalene epoxidase				Bioorg Med Chem Lett 5: 481-486 (1995) Article DOI: 10.1016/0960-894X(95)00058-2 BindingDB Entry DOI: 10.7270/Q2HH6K2N
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250982 (CHEMBL458192 | n-didecyl 2,2',3,3',4,4'-hexahydrox...) Show SMILES CCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCCCCCC |(1.87,-7.46,;3.2,-8.23,;3.2,-9.77,;4.54,-10.54,;4.54,-12.08,;5.87,-12.85,;5.87,-14.39,;7.2,-15.16,;7.2,-16.7,;8.54,-17.47,;8.54,-18.99,;9.84,-19.74,;9.84,-21.25,;11.15,-18.99,;11.15,-17.46,;12.47,-16.71,;12.47,-15.2,;13.78,-17.47,;15.08,-16.71,;13.78,-18.98,;15.08,-19.73,;12.47,-19.73,;12.47,-22.15,;11.16,-22.92,;9.86,-22.16,;11.17,-24.43,;9.87,-25.18,;12.49,-25.18,;12.49,-26.68,;13.79,-24.41,;13.79,-22.9,;15.21,-22.38,;15.26,-20.89,;16.35,-23.36,;16.3,-24.9,;17.6,-25.71,;17.55,-27.25,;18.86,-28.07,;18.8,-29.61,;20.11,-30.43,;20.05,-31.96,;21.36,-32.78,;21.3,-34.32,;22.61,-35.14,)| Show InChI InChI=1S/C34H50O10/c1-3-5-7-9-11-13-15-17-19-43-33(41)23-21-25(35)29(37)31(39)27(23)28-24(22-26(36)30(38)32(28)40)34(42)44-20-18-16-14-12-10-8-6-4-2/h21-22,35-40H,3-20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250983 (CHEMBL450739 | n-didodecyl 2,2',3,3',4,4'-hexahydr...) Show SMILES CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCCCCCCCC |(15.04,-6.15,;16.37,-6.92,;16.37,-8.46,;17.71,-9.23,;17.71,-10.77,;19.04,-11.54,;19.04,-13.08,;20.38,-13.85,;20.38,-15.39,;21.71,-16.16,;21.71,-17.7,;23.04,-18.47,;23.04,-19.99,;24.35,-20.74,;24.35,-22.25,;25.65,-19.98,;25.66,-18.46,;26.97,-17.71,;26.97,-16.2,;28.28,-18.46,;29.59,-17.71,;28.28,-19.98,;29.59,-20.73,;26.97,-20.73,;26.97,-23.15,;25.67,-23.91,;24.37,-23.16,;25.68,-25.42,;24.38,-26.18,;27,-26.17,;27,-27.68,;28.3,-25.41,;28.3,-23.9,;29.71,-23.38,;29.77,-21.89,;30.86,-24.35,;30.8,-25.89,;32.11,-26.71,;32.06,-28.25,;33.36,-29.06,;33.31,-30.6,;34.61,-31.42,;34.56,-32.96,;35.86,-33.78,;35.81,-35.32,;37.11,-36.13,;37.06,-37.67,;38.37,-38.49,)| Show InChI InChI=1S/C38H58O10/c1-3-5-7-9-11-13-15-17-19-21-23-47-37(45)27-25-29(39)33(41)35(43)31(27)32-28(26-30(40)34(42)36(32)44)38(46)48-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,39-44H,3-24H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250984 (CHEMBL446556 | n-ditetradecyl 2,2',3,3',4,4'-hexah...) Show SMILES CCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCCCCCCCCCC |(35.49,-37.95,;34.14,-38.68,;32.83,-37.88,;31.47,-38.61,;30.16,-37.8,;28.81,-38.53,;27.5,-37.72,;26.14,-38.45,;24.83,-37.64,;23.47,-38.37,;22.16,-37.56,;20.81,-38.3,;19.5,-37.49,;18.14,-38.22,;16.83,-37.41,;15.42,-37.92,;14.15,-37.14,;15.17,-39.41,;16.48,-40.16,;16.5,-41.66,;17.81,-42.41,;15.2,-42.44,;15.21,-43.95,;13.88,-41.7,;12.58,-42.46,;13.86,-40.19,;11.76,-38.99,;11.75,-37.48,;13.05,-36.72,;10.44,-36.73,;10.43,-35.23,;9.13,-37.5,;7.82,-36.75,;9.14,-39.01,;10.46,-39.77,;10.47,-41.28,;11.78,-42.03,;9.17,-42.04,;7.85,-41.29,;6.52,-42.07,;5.18,-41.31,;3.85,-42.09,;2.52,-41.32,;1.19,-42.1,;-.15,-41.34,;-1.48,-42.12,;-2.82,-41.36,;-4.14,-42.14,;-5.48,-41.37,;-6.81,-42.15,;-8.15,-41.39,;-9.48,-42.17,)| Show InChI InChI=1S/C42H66O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-51-41(49)31-29-33(43)37(45)39(47)35(31)36-32(30-34(44)38(46)40(36)48)42(50)52-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,43-48H,3-28H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50093880 (3,4,5-Trihydroxy-benzoic acid (2E,6E)-3,7,11-trime...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1cc(-[#8])c(-[#8])c(-[#8])c1 Show InChI InChI=1S/C22H30O5/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-27-22(26)18-13-19(23)21(25)20(24)14-18/h7,9,11,13-14,23-25H,5-6,8,10,12H2,1-4H3/b16-9+,17-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)				Bioorg Med Chem Lett 10: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2M9096Q
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250989 (CHEMBL450745 | eugeniin) Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50242262 (CHEMBL506204 | PEDUNCULAGIN) Show SMILES OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12 |r| Show InChI InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250985 (CHEMBL445979 | n-dihexadecyl 2,2',3,3',4,4'-hexahy...) Show SMILES CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCCCCCCCCCCCCCC |(39.54,-46.39,;38.18,-47.12,;36.87,-46.31,;35.52,-47.05,;34.21,-46.24,;32.85,-46.97,;31.54,-46.16,;30.18,-46.89,;28.87,-46.08,;27.52,-46.81,;26.21,-46,;24.85,-46.73,;23.54,-45.93,;22.18,-46.66,;20.87,-45.85,;19.52,-46.58,;18.21,-45.77,;16.79,-46.29,;15.52,-45.5,;16.54,-47.77,;17.86,-48.52,;17.88,-50.02,;19.19,-50.77,;16.58,-50.8,;16.59,-52.31,;15.26,-50.06,;13.96,-50.82,;15.24,-48.55,;13.14,-47.35,;13.13,-45.84,;14.43,-45.08,;11.82,-45.09,;11.8,-43.59,;10.51,-45.86,;9.2,-45.12,;10.51,-47.37,;11.84,-48.13,;11.85,-49.64,;13.16,-50.39,;10.55,-50.4,;9.23,-49.65,;7.9,-50.43,;6.56,-49.67,;5.23,-50.45,;3.89,-49.69,;2.56,-50.46,;1.22,-49.7,;-.1,-50.48,;-1.44,-49.72,;-2.77,-50.5,;-4.1,-49.74,;-5.43,-50.51,;-6.77,-49.75,;-8.1,-50.53,;-9.44,-49.77,;-10.77,-50.54,)| Show InChI InChI=1S/C46H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-55-45(53)35-33-37(47)41(49)43(51)39(35)40-36(34-38(48)42(50)44(40)52)46(54)56-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,47-52H,3-32H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50366290 (CHEBULAGIC ACID) Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4 |r| Show InChI InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50242279 (6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,...) Show SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r| Show InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50242278 (CHEMBL506069 | Geraniin | geraniiin) Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]3[C@@H]2OC(=O)C2=CC(=O)[C@]4(O)Oc5c(O)c(O)cc(c5[C@H]2C4(O)O)C(=O)O[C@@H]13 |r,t:49,THB:43:45:61:52.59.51,48:47:61:52.59.51| Show InChI InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50244948 (CHEMBL453196 | Ethyl 3,4,5-trihydroxybenzoate | et...) Show SMILES CCOC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50093884 (3,4,5-Trihydroxy-benzoic acid (2E,6E,10E)-3,7,11,1...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1cc(-[#8])c(-[#8])c(-[#8])c1 Show InChI InChI=1S/C27H38O5/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-32-27(31)23-17-24(28)26(30)25(29)18-23/h9,11,13,15,17-18,28-30H,6-8,10,12,14,16H2,1-5H3/b20-11+,21-13+,22-15+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)				Bioorg Med Chem Lett 10: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2M9096Q
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50093883 (3,4,5-Trihydroxy-benzoic acid (4E,8E,12E,16E)-4,8,...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]-[#8]-[#6](=O)-c1cc(-[#8])c(-[#8])c(-[#8])c1 Show InChI InChI=1S/C34H50O5/c1-25(2)13-9-16-28(5)19-10-17-26(3)14-7-8-15-27(4)18-11-20-29(6)21-12-22-39-34(38)30-23-31(35)33(37)32(36)24-30/h13-15,19-20,23-24,35-37H,7-12,16-18,21-22H2,1-6H3/b26-14+,27-15+,28-19+,29-20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)				Bioorg Med Chem Lett 10: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2M9096Q
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50251008 (CHEMBL457687 | Trisnorsqualene difluoromethylidene) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/F)F Show InChI InChI=1S/C28H44F2/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-28(29)30/h13-15,19-20,22H,7-12,16-18,21H2,1-6H3/b24-14+,25-15+,26-19+,27-20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of rat squalene epoxidase				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	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+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	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 rat 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 (Rattus norvegicus)	BDBM50250990 (1(beta)-O-galloylpedunculagin | CHEMBL446979) Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12 |r| Show InChI InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2/t19-,33-,34+,35-,41+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250975 (CHEMBL465049 | n-dibutyl 2,2',3,3',4,4'-hexahydrox...) Show SMILES CCCCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCCCC |(12.11,6.34,;13.46,5.56,;13.46,4,;14.82,3.21,;14.82,1.67,;16.15,.91,;16.15,-.63,;17.47,1.67,;17.48,3.22,;18.81,3.99,;18.81,5.52,;20.14,3.22,;21.47,3.98,;20.14,1.68,;21.47,.91,;18.81,.92,;18.81,-1.54,;17.49,-2.32,;16.16,-1.55,;17.5,-3.86,;16.17,-4.62,;18.84,-4.61,;18.84,-6.15,;20.16,-3.84,;20.16,-2.3,;21.59,-1.78,;21.65,-.26,;22.76,-2.77,;22.7,-4.33,;24.03,-5.16,;23.98,-6.73,;25.3,-7.56,)| Show InChI InChI=1S/C22H26O10/c1-3-5-7-31-21(29)11-9-13(23)17(25)19(27)15(11)16-12(22(30)32-8-6-4-2)10-14(24)18(26)20(16)28/h9-10,23-28H,3-8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250995 (CHEMBL506817 | mallotusinic acid) Show SMILES OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(O)c(O)c(O)cc1C(=O)OC[C@H]1O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]3OC(=O)c4cc(O)c(O)c5O[C@@]6(O)C(=O)C=C([C@@H](c45)C6(O)O)C(=O)O[C@H]1[C@@H]3OC2=O |r,c:69,THB:72:66:69:68.60.59,64:63:69:68.60.59| Show InChI InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(43(67)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)10-3-17(51)28(56)32(60)23(10)24-12(44(68)77-38)6-20(31(59)33(24)61)74-35-14(40(63)64)5-18(52)29(57)34(35)62/h1-7,21,26,36,38-39,46,49-53,55-62,70-72H,8H2,(H,63,64)/t21-,26+,36-,38+,39-,46+,48+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250994 (CHEMBL448796 | mallotinic acid) Show SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(Oc4c(O)c(O)c(O)cc4C(O)=O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r| Show InChI InChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)8-3-13(37)20(40)24(44)17(8)18-9(33(52)56-29)5-15(22(42)25(18)45)54-28-10(30(48)49)4-14(38)21(41)26(28)46/h1-5,16,23,27,29,34-47H,6H2,(H,48,49)/t16-,23-,27-,29+,34+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50377924 (FUROSIN) Show SMILES OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]2OC(=O)c3cc(O)c(O)c4OC5(O)[C@H](c34)C(=CC(=O)C5(O)O)C(=O)O[C@H]1[C@@H]2O |r,c:36| Show InChI InChI=1S/C27H22O19/c28-5-12-19-18(35)21(25(42-12)45-22(36)6-1-9(29)16(33)10(30)2-6)44-23(37)7-3-11(31)17(34)20-14(7)15-8(24(38)43-19)4-13(32)26(39,40)27(15,41)46-20/h1-4,12,15,18-19,21,25,28-31,33-35,39-41H,5H2/t12-,15+,18+,19-,21-,25+,27?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50093879 (3,4,5-Trihydroxy-benzoic acid 6-phenyl-hexyl ester...) Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCCCCCc1ccccc1 Show InChI InChI=1S/C19H22O5/c20-16-12-15(13-17(21)18(16)22)19(23)24-11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,12-13,20-22H,1-2,4,7-8,11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)				Bioorg Med Chem Lett 10: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2M9096Q
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50250999 (CHEMBL508647 | sanguiin H-6) Show SMILES Oc1cc(cc(O)c1O)C(=O)O[C@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c(Oc4cc(cc(O)c4O)C(=O)O[C@@H]4O[C@@H]5COC(=O)c6cc(O)c(O)c(O)c6-c6c(O)c(O)c(O)cc6C(=O)O[C@H]5[C@@H]5OC(=O)c6cc(O)c(O)c(O)c6-c6c(O)c(O)c(O)cc6C(=O)O[C@@H]45)c3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12 |r| Show InChI InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2/t34-,35-,64-,65-,67+,68+,69-,70-,81-,82+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50377925 (CHEBULINIC ACID) Show SMILES O[C@H]1[C@H]2[C@@H](CC(O)=O)C(=O)O[C@@H]3[C@@H](COC(=O)c4cc(O)c(O)c(O)c4)O[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](OC(=O)c4cc(O)c(O)c(OC1=O)c24)[C@H]3OC(=O)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22-,24+,30+,31-,33+,34-,41+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50093881 (3,4,5-Trihydroxy-benzoic acid 8-phenyl-octyl ester...) Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCCCCCCCc1ccccc1 Show InChI InChI=1S/C21H26O5/c22-18-14-17(15-19(23)20(18)24)21(25)26-13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14-15,22-24H,1-4,6,9-10,13H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)				Bioorg Med Chem Lett 10: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2M9096Q
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50093878 (3,4,5-Trihydroxy-benzoic acid (E)-3,7-dimethyl-oct...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1cc(-[#8])c(-[#8])c(-[#8])c1 Show InChI InChI=1S/C17H22O5/c1-11(2)5-4-6-12(3)7-8-22-17(21)13-9-14(18)16(20)15(19)10-13/h5,7,9-10,18-20H,4,6,8H2,1-3H3/b12-7+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)				Bioorg Med Chem Lett 10: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2M9096Q
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50281100 (2,2-dimethyl-3-[3-methyl-6-{2-methyl-3-[4,8,12-tri...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6] Show InChI InChI=1S/C30H50O2/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-19-28-30(8,32-28)22-12-18-26(5)20-21-27-29(6,7)31-27/h13,15,17-18,27-28H,9-12,14,16,19-22H2,1-8H3/b24-15+,25-17+,26-18+/t27-,28?,30?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against squalene epoxidase from rat liver microsomes				Bioorg Med Chem Lett 3: 2581-2586 (1993) Article DOI: 10.1016/S0960-894X(01)80720-4 BindingDB Entry DOI: 10.7270/Q24F1QNX
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50043785 (4,5,6,4',5',6'-Hexahydroxy-biphenyl-2,2'-dicarboxy...) Show SMILES CCOC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OCC |(.44,4.09,;1.79,3.31,;1.79,1.76,;3.13,.99,;3.13,-.54,;4.45,1.76,;4.46,3.31,;5.79,4.08,;5.79,5.62,;7.13,3.31,;8.46,4.08,;7.13,1.77,;8.45,1,;5.8,1,;5.8,-1.46,;4.47,-2.24,;3.14,-1.47,;4.48,-3.77,;3.15,-4.54,;5.82,-4.54,;5.82,-6.07,;7.14,-3.76,;7.14,-2.22,;8.58,-1.69,;8.64,-.17,;9.75,-2.69,;9.7,-4.25,;11.02,-5.08,)| Show InChI InChI=1S/C18H18O10/c1-3-27-17(25)7-5-9(19)13(21)15(23)11(7)12-8(18(26)28-4-2)6-10(20)14(22)16(12)24/h5-6,19-24H,3-4H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50093885 (3,4,5-Trihydroxy-benzoic acid 10-phenyl-decyl este...) Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCCCCCCCCCc1ccccc1 Show InChI InChI=1S/C23H30O5/c24-20-16-19(17-21(25)22(20)26)23(27)28-15-11-6-4-2-1-3-5-8-12-18-13-9-7-10-14-18/h7,9-10,13-14,16-17,24-26H,1-6,8,11-12,15H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)				Bioorg Med Chem Lett 10: 2525-8 (2001) BindingDB Entry DOI: 10.7270/Q2M9096Q
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50043773 (4,5,6,4',5',6'-Hexahydroxy-biphenyl-2,2'-dicarboxy...) Show SMILES COC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1C(=O)OC |(-10.46,3.15,;-10.46,1.6,;-9.13,.84,;-9.13,-.7,;-7.81,1.6,;-7.8,3.16,;-6.46,3.92,;-6.46,5.46,;-5.13,3.15,;-3.8,3.92,;-5.13,1.61,;-3.8,.84,;-6.46,.85,;-6.46,-1.61,;-7.79,-2.39,;-9.12,-1.63,;-7.78,-3.93,;-9.1,-4.7,;-6.44,-4.69,;-6.44,-6.23,;-5.11,-3.92,;-5.11,-2.38,;-3.67,-1.85,;-3.62,-.33,;-2.51,-2.85,;-2.56,-4.41,)| Show InChI InChI=1S/C16H14O10/c1-25-15(23)5-3-7(17)11(19)13(21)9(5)10-6(16(24)26-2)4-8(18)12(20)14(10)22/h3-4,17-22H,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50377923 (PUNICALIN) Show SMILES O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/t8-,25-,26-,27-,34-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia...				J Nat Prod 64: 1010-4 (2001) BindingDB Entry DOI: 10.7270/Q25Q4X03
					More data for this Ligand-Target Pair

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