Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'kashiwada' and Initial = 'y'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030567 (6,6'-Dibromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dio...) Show SMILES COC(=O)c1c(Br)c(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(8.03,-5.65,;6.87,-4.77,;5.41,-5.35,;5.47,-6.63,;4.11,-5.09,;4.11,-3.55,;5.44,-2.78,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;1.45,-3.55,;-.02,-3.06,;-.93,-4.32,;-.02,-5.58,;1.45,-5.09,;2.78,-5.86,;2.78,-7.4,;1.45,-8.17,;-.02,-7.7,;-.93,-8.94,;-.02,-10.2,;1.45,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;4.11,-9.71,;5.46,-10.48,;4.11,-8.17,;5.65,-8.17,;6.42,-6.84,;6.42,-9.5,;7.96,-9.5,)| Show InChI InChI=1S/C20H16Br2O10/c1-25-15-11(21)9(19(23)27-3)7(13-17(15)31-5-29-13)8-10(20(24)28-4)12(22)16(26-2)18-14(8)30-6-32-18/h5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as DNA dependent DNA polymerase associated activity by using 0.05 units of radiolabeled template poly(rA)-oli...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030566 (6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl...) Show SMILES COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)| Show InChI InChI=1S/C20H17BrO10/c1-24-9-5-8(19(22)26-3)10(15-14(9)28-6-29-15)11-12(20(23)27-4)13(21)17(25-2)18-16(11)30-7-31-18/h5H,6-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as DNA dependent DNA polymerase associated activity by using 0.05 units of radiolabeled template poly(rA)-oli...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					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)	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)	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)	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)	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030567 (6,6'-Dibromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dio...) Show SMILES COC(=O)c1c(Br)c(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(8.03,-5.65,;6.87,-4.77,;5.41,-5.35,;5.47,-6.63,;4.11,-5.09,;4.11,-3.55,;5.44,-2.78,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;1.45,-3.55,;-.02,-3.06,;-.93,-4.32,;-.02,-5.58,;1.45,-5.09,;2.78,-5.86,;2.78,-7.4,;1.45,-8.17,;-.02,-7.7,;-.93,-8.94,;-.02,-10.2,;1.45,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;4.11,-9.71,;5.46,-10.48,;4.11,-8.17,;5.65,-8.17,;6.42,-6.84,;6.42,-9.5,;7.96,-9.5,)| Show InChI InChI=1S/C20H16Br2O10/c1-25-15-11(21)9(19(23)27-3)7(13-17(15)31-5-29-13)8-10(20(24)28-4)12(22)16(26-2)18-14(8)30-6-32-18/h5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as RNA dependent DNA polymerase associated activity by using 10e-3 units of radiolabeled template poly(rA)-ol...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					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 (Sus scrofa)	BDBM50251007 (CHEMBL511506 | trisnorsqualene cyclopropylamine) 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]-[#7]-[#6]-1-[#6]-[#6]-1 Show InChI InChI=1S/C30H51N/c1-25(2)13-9-16-28(5)19-10-17-26(3)14-7-8-15-27(4)18-11-20-29(6)21-12-24-31-30-22-23-30/h13-15,19-20,30-31H,7-12,16-18,21-24H2,1-6H3/b26-14+,27-15+,28-19+,29-20+	PDB Reactome pathway KEGG UniProtKB/TrEMBL 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 pig 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)	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030566 (6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl...) Show SMILES COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)| Show InChI InChI=1S/C20H17BrO10/c1-24-9-5-8(19(22)26-3)10(15-14(9)28-6-29-15)11-12(20(23)27-4)13(21)17(25-2)18-16(11)30-7-31-18/h5H,6-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as RNA dependent DNA polymerase associated activity by using 1*10e-3 units of radiolabeled template poly(rC)-...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					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 (Sus scrofa)	BDBM50015507 (4,8,13,17,21-Pentamethyl-docosa-4,8,12,16,20-penta...) 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] Show InChI InChI=1S/C27H46O/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/h13-15,19-20,28H,7-12,16-18,21-22H2,1-6H3/b24-14+,25-15+,26-19+,27-20+	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 pig 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)	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030566 (6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl...) Show SMILES COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)| Show InChI InChI=1S/C20H17BrO10/c1-24-9-5-8(19(22)26-3)10(15-14(9)28-6-29-15)11-12(20(23)27-4)13(21)17(25-2)18-16(11)30-7-31-18/h5H,6-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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 North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as RNA dependent DNA polymerase associated activity by using 1*10e-3 units of radiolabeled template poly(rA)-...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					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)	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030567 (6,6'-Dibromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dio...) Show SMILES COC(=O)c1c(Br)c(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(8.03,-5.65,;6.87,-4.77,;5.41,-5.35,;5.47,-6.63,;4.11,-5.09,;4.11,-3.55,;5.44,-2.78,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;1.45,-3.55,;-.02,-3.06,;-.93,-4.32,;-.02,-5.58,;1.45,-5.09,;2.78,-5.86,;2.78,-7.4,;1.45,-8.17,;-.02,-7.7,;-.93,-8.94,;-.02,-10.2,;1.45,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;4.11,-9.71,;5.46,-10.48,;4.11,-8.17,;5.65,-8.17,;6.42,-6.84,;6.42,-9.5,;7.96,-9.5,)| Show InChI InChI=1S/C20H16Br2O10/c1-25-15-11(21)9(19(23)27-3)7(13-17(15)31-5-29-13)8-10(20(24)28-4)12(22)16(26-2)18-14(8)30-6-32-18/h5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as RNA dependent DNA polymerase associated activity by using 10e-3 units of radiolabeled template poly(rC)-ol...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					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)	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)	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)	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
Squalene monooxygenase (Rattus norvegicus)	BDBM50250997 (CHEMBL504485 | castalagin) Show SMILES O[C@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(O)c3-c1c(O)c(O)c(O)c3-c4c(O)c(O)c(O)cc4C(=O)O[C@@H]4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c(O)cc5C(=O)O[C@H]4[C@@H]2OC(=O)c13 |r| Show InChI InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11-,31-,34-,35+,36+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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)	BDBM50250998 (CHEMBL507387 | Casuarinin) Show SMILES O[C@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(O)c3-c1c(O)c(O)c(O)cc1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(=O)OC[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32-,34-,35+,36+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+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)	BDBM50250987 (2, 3-(S)-hexahydroxydiphenoyl-D-glucose | 2,3-(S)-...) Show SMILES OC[C@H]1OC(O)[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]1O |r| Show InChI InChI=1S/C20H18O14/c21-3-8-13(26)16-17(20(31)32-8)34-19(30)5-2-7(23)12(25)15(28)10(5)9-4(18(29)33-16)1-6(22)11(24)14(9)27/h1-2,8,13,16-17,20-28,31H,3H2/t8-,13-,16+,17-,20?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+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
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50043765 (5,7-Dihydro-dibenzo[c,e]oxepine-1,2,3,9,10,11-hexa...) Show SMILES Oc1cc2COCc3cc(O)c(O)c(O)c3-c2c(O)c1O Show InChI InChI=1S/C14H12O7/c15-7-1-5-3-21-4-6-2-8(16)12(18)14(20)10(6)9(5)13(19)11(7)17/h1-2,15-20H,3-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of protein kianse C gamma				J Med Chem 37: 195-200 (1994) BindingDB Entry DOI: 10.7270/Q2Q52Q7F
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50043765 (5,7-Dihydro-dibenzo[c,e]oxepine-1,2,3,9,10,11-hexa...) Show SMILES Oc1cc2COCc3cc(O)c(O)c(O)c3-c2c(O)c1O Show InChI InChI=1S/C14H12O7/c15-7-1-5-3-21-4-6-2-8(16)12(18)14(20)10(6)9(5)13(19)11(7)17/h1-2,15-20H,3-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of protein kianse C gamma				J Med Chem 37: 195-200 (1994) BindingDB Entry DOI: 10.7270/Q2Q52Q7F
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50043765 (5,7-Dihydro-dibenzo[c,e]oxepine-1,2,3,9,10,11-hexa...) Show SMILES Oc1cc2COCc3cc(O)c(O)c(O)c3-c2c(O)c1O Show InChI InChI=1S/C14H12O7/c15-7-1-5-3-21-4-6-2-8(16)12(18)14(20)10(6)9(5)13(19)11(7)17/h1-2,15-20H,3-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of protein kinase C alpha				J Med Chem 37: 195-200 (1994) BindingDB Entry DOI: 10.7270/Q2Q52Q7F
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50292433 (CHEMBL502585 | betulinic acid 3-O-sulfonate potass...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C30H48O6S/c1-18(2)19-10-15-30(25(31)32)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(36-37(33,34)35)26(3,4)21(27)11-14-29(22,28)7/h19-24H,1,8-17H2,2-7H3,(H,31,32)(H,33,34,35)/p-1/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC gamma				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Squalene monooxygenase (Rattus norvegicus)	BDBM50377922 (PUNICALAGIN) 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]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/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+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
Protein kinase C delta type (Homo sapiens (Human))	BDBM50043765 (5,7-Dihydro-dibenzo[c,e]oxepine-1,2,3,9,10,11-hexa...) Show SMILES Oc1cc2COCc3cc(O)c(O)c(O)c3-c2c(O)c1O Show InChI InChI=1S/C14H12O7/c15-7-1-5-3-21-4-6-2-8(16)12(18)14(20)10(6)9(5)13(19)11(7)17/h1-2,15-20H,3-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition ofprotein kinase C delta				J Med Chem 37: 195-200 (1994) BindingDB Entry DOI: 10.7270/Q2Q52Q7F
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50043774 (6,6'-Bis-methoxymethyl-biphenyl-2,3,4,2',3',4'-hex...) Show SMILES COCc1cc(O)c(O)c(O)c1-c1c(O)c(O)c(O)cc1COC |(6.66,-8.73,;5.33,-7.94,;4,-8.73,;2.66,-7.96,;2.66,-6.42,;1.31,-5.65,;1.31,-4.11,;-.02,-6.42,;-1.07,-5.54,;-.02,-7.96,;-1.35,-8.73,;1.31,-8.73,;1.31,-10.27,;-.02,-11.04,;-1.35,-10.27,;-.02,-12.58,;-1.35,-13.35,;1.31,-13.35,;1.33,-14.89,;2.66,-12.56,;2.66,-11.04,;3.97,-10.25,;5.33,-11.02,;6.66,-10.25,)| Show InChI InChI=1S/C16H18O8/c1-23-5-7-3-9(17)13(19)15(21)11(7)12-8(6-24-2)4-10(18)14(20)16(12)22/h3-4,17-22H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of protein kinase C alpha				J Med Chem 37: 195-200 (1994) BindingDB Entry DOI: 10.7270/Q2Q52Q7F
					More data for this Ligand-Target Pair

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