Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'reid' and Initial = 'ac'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Squalene synthase (Rattus norvegicus)	BDBM50291312 (4-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES COC(=O)CCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:12:13:18.17:20.21,14:13:18.17:20.21,(20.76,-2.86,;19.42,-2.1,;18.08,-2.89,;18.1,-4.43,;16.75,-2.12,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)| Show InChI InChI=1S/C23H29NO3/c1-3-5-20-16-18(6-4-7-22(25)27-2)8-9-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,8-9,16,21,26H,1,4-7,11-12,14-15,17H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50075719 (3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:12:13:18.17:20.21,14:13:18.17:20.21,(10.63,-1.41,;9.54,-2.5,;9.94,-3.98,;8.86,-5.08,;9.25,-6.57,;7.36,-4.68,;6.27,-5.77,;4.78,-5.38,;4.38,-3.89,;2.9,-3.49,;1.81,-4.59,;.33,-4.19,;-1.17,-3.79,;-2.66,-3.4,;-2.26,-1.9,;-3.89,-4.07,;-4.88,-2.49,;-6.75,-2.53,;-5.51,-1.8,;-3.62,-1.88,;-3.15,-.9,;-4.25,-1.27,;2.22,-6.06,;1.13,-7.15,;-.37,-6.75,;-1.45,-7.84,;3.7,-6.46,)| Show InChI InChI=1S/C23H29NO3/c1-3-5-20-16-18(7-9-22(25)27-4-2)6-8-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,6,8,16,21,26H,1,4-5,7,9,11-12,14-15,17H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50291315 (5-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES COC(=O)CCCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:13:14:19.18:21.22,15:14:19.18:21.22,(22.09,-2.1,;20.76,-2.86,;19.42,-2.1,;19.42,-.56,;18.08,-2.89,;16.75,-2.12,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)| Show InChI InChI=1S/C24H31NO3/c1-3-6-21-17-19(7-4-5-8-23(26)28-2)9-10-20(21)11-14-24(27)18-25-15-12-22(24)13-16-25/h3,9-10,17,22,27H,1,4-8,12-13,15-16,18H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50291311 (6-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES COC(=O)CCCCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:14:15:20.19:22.23,16:15:20.19:22.23,(23.43,-2.86,;22.09,-2.1,;20.76,-2.86,;20.76,-4.4,;19.42,-2.1,;18.08,-2.89,;16.75,-2.12,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)| Show InChI InChI=1S/C25H33NO3/c1-3-7-22-18-20(8-5-4-6-9-24(27)29-2)10-11-21(22)12-15-25(28)19-26-16-13-23(25)14-17-26/h3,10-11,18,23,28H,1,4-9,13-14,16-17,19H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50291316 (3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES COC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:11:12:17.16:19.20,13:12:17.16:19.20,(19.42,-2.1,;18.08,-2.89,;16.75,-2.12,;16.75,-.58,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)| Show InChI InChI=1S/C22H27NO3/c1-3-4-19-15-17(6-8-21(24)26-2)5-7-18(19)9-12-22(25)16-23-13-10-20(22)11-14-23/h3,5,7,15,20,25H,1,4,6,8,10-11,13-14,16H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50075719 (3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:12:13:18.17:20.21,14:13:18.17:20.21,(10.63,-1.41,;9.54,-2.5,;9.94,-3.98,;8.86,-5.08,;9.25,-6.57,;7.36,-4.68,;6.27,-5.77,;4.78,-5.38,;4.38,-3.89,;2.9,-3.49,;1.81,-4.59,;.33,-4.19,;-1.17,-3.79,;-2.66,-3.4,;-2.26,-1.9,;-3.89,-4.07,;-4.88,-2.49,;-6.75,-2.53,;-5.51,-1.8,;-3.62,-1.88,;-3.15,-.9,;-4.25,-1.27,;2.22,-6.06,;1.13,-7.15,;-.37,-6.75,;-1.45,-7.84,;3.7,-6.46,)| Show InChI InChI=1S/C23H29NO3/c1-3-5-20-16-18(7-9-22(25)27-4-2)6-8-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,6,8,16,21,26H,1,4-5,7,9,11-12,14-15,17H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against human microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50291317 (CHEMBL154472 | [3-Allyl-4-(3-hydroxy-1-aza-bicyclo...) Show SMILES CCOC(=O)Cc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:11:12:17.16:19.20,13:12:17.16:19.20,(19.42,-2.1,;18.08,-2.89,;16.75,-2.12,;15.43,-2.9,;15.43,-4.44,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)| Show InChI InChI=1S/C22H27NO3/c1-3-5-19-14-17(15-21(24)26-4-2)6-7-18(19)8-11-22(25)16-23-12-9-20(22)10-13-23/h3,6-7,14,20,25H,1,4-5,9-10,12-13,15-16H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50291318 (3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES OC1(CN2CCC1CC2)C#Cc1ccc(CCC#N)cc1CC=C |THB:9:1:5.4:7.8,0:1:5.4:7.8,(7.67,-7.29,;6.19,-6.88,;6.4,-8.42,;4.96,-7.64,;3.26,-8.25,;3.14,-6.75,;4.78,-6.15,;4.96,-4.38,;5.37,-5.61,;7.45,-6.01,;8.78,-5.24,;10.12,-4.46,;11.45,-5.23,;12.77,-4.46,;12.77,-2.91,;14.1,-2.13,;15.44,-2.91,;16.76,-2.12,;18.1,-1.35,;11.43,-2.15,;10.09,-2.93,;8.77,-2.17,;7.44,-2.94,;6.1,-2.18,)| Show InChI InChI=1S/C21H24N2O/c1-2-4-19-15-17(5-3-12-22)6-7-18(19)8-11-21(24)16-23-13-9-20(21)10-14-23/h2,6-7,15,20,24H,1,3-5,9-10,13-14,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50291314 (3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES NC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:10:11:16.15:18.19,12:11:16.15:18.19,(18.09,-2.89,;16.75,-2.12,;16.75,-.58,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.24,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.64,;3.26,-8.24,;3.14,-6.74,;4.77,-6.15,;4.96,-4.38,;5.36,-5.61,;10.09,-2.93,;8.76,-2.17,;7.43,-2.94,;6.1,-2.18,;11.43,-2.15,)| Show InChI InChI=1S/C21H26N2O2/c1-2-3-18-14-16(5-7-20(22)24)4-6-17(18)8-11-21(25)15-23-12-9-19(21)10-13-23/h2,4,6,14,19,25H,1,3,5,7,9-10,12-13,15H2,(H2,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50291313 (3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES CCN(CC)C(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:14:15:20.19:22.23,16:15:20.19:22.23,(19.46,-5.19,;18.12,-4.43,;18.1,-2.89,;19.44,-2.11,;20.78,-2.86,;16.76,-2.12,;16.76,-.58,;15.44,-2.91,;14.1,-2.13,;12.77,-2.91,;12.77,-4.46,;11.45,-5.23,;10.12,-4.46,;8.78,-5.24,;7.45,-6.01,;6.19,-6.88,;7.67,-7.29,;6.4,-8.42,;4.96,-7.64,;3.26,-8.25,;3.14,-6.75,;4.78,-6.15,;4.96,-4.38,;5.37,-5.61,;10.09,-2.93,;8.77,-2.17,;7.44,-2.94,;6.1,-2.18,;11.43,-2.15,)| Show InChI InChI=1S/C25H34N2O2/c1-4-7-22-18-20(9-11-24(28)27(5-2)6-3)8-10-21(22)12-15-25(29)19-26-16-13-23(25)14-17-26/h4,8,10,18,23,29H,1,5-7,9,11,13-14,16-17,19H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50291319 (3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...) Show SMILES CNC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:11:12:17.16:19.20,13:12:17.16:19.20,(19.42,-2.1,;18.08,-2.89,;16.75,-2.12,;16.75,-.58,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.23,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.63,;3.26,-8.24,;3.14,-6.74,;4.77,-6.14,;4.96,-4.38,;5.36,-5.6,;10.08,-2.93,;8.76,-2.17,;7.43,-2.94,;6.09,-2.18,;11.42,-2.15,)| Show InChI InChI=1S/C22H28N2O2/c1-3-4-19-15-17(6-8-21(25)23-2)5-7-18(19)9-12-22(26)16-24-13-10-20(22)11-14-24/h3,5,7,15,20,26H,1,4,6,8,10-11,13-14,16H2,2H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)				Bioorg Med Chem Lett 7: 597-600 (1997) Article DOI: 10.1016/S0960-894X(97)00053-X BindingDB Entry DOI: 10.7270/Q2C24WFT
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052343 (3-Biphenyl-4-ylethynyl-1-aza-bicyclo[2.2.2]octan-3...) Show SMILES OC1(CN2CCC1CC2)C#Cc1ccc(cc1)-c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(8.8,-5.03,;8.54,-7.02,;8.83,-8.52,;7.36,-7.82,;5.68,-8.55,;5.47,-7.05,;7.08,-6.36,;7.08,-4.51,;7.64,-5.76,;10.08,-7.02,;10.91,-8.3,;11.75,-9.56,;13.23,-9.22,;14.27,-10.37,;13.78,-11.83,;12.28,-12.18,;11.24,-11.02,;14.83,-12.95,;16.33,-12.63,;17.37,-13.77,;16.92,-15.25,;15.39,-15.56,;14.38,-14.43,)| Show InChI InChI=1S/C21H21NO/c23-21(16-22-14-11-20(21)12-15-22)13-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20,23H,11-12,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052350 (3-((E)-2-Biphenyl-4-yl-vinyl)-1-aza-bicyclo[2.2.2]...) Show SMILES C1CN2CCC1C(C2)\C=C\c1ccc(cc1)-c1ccccc1 |THB:8:6:4.3:0.1,(9.53,-12.11,;9.74,-13.61,;11.4,-12.88,;11.68,-10.82,;11.12,-9.57,;11.12,-11.41,;12.6,-12.04,;12.88,-13.58,;13.78,-11.1,;15.21,-11.68,;16.43,-10.72,;16.11,-9.22,;17.24,-8.17,;18.7,-8.65,;19.05,-10.15,;17.9,-11.17,;19.85,-7.61,;19.53,-6.11,;20.65,-5.07,;22.14,-5.54,;22.47,-7.04,;21.32,-8.09,)| Show InChI InChI=1S/C21H23N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-11,20-21H,12-16H2/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052342 (3-(2-Biphenyl-4-yl-ethyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES C(Cc1ccc(cc1)-c1ccccc1)C1CN2CCC1CC2 |TLB:0:14:20.21:18.17,(13.67,-10.95,;15.1,-11.51,;16.32,-10.57,;16.07,-9.06,;17.28,-8.09,;18.72,-8.65,;18.93,-10.18,;17.74,-11.15,;19.93,-7.7,;19.68,-6.18,;20.88,-5.23,;22.31,-5.78,;22.55,-7.32,;21.33,-8.27,;12.48,-11.91,;12.76,-13.42,;11.29,-12.73,;11.57,-10.67,;11.01,-9.42,;11.01,-11.26,;9.42,-11.96,;9.63,-13.46,)| Show InChI InChI=1S/C21H25N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-7,9-10,20-21H,8,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052353 (3-(4-Benzothiazol-2-yl-phenyl)-1-aza-bicyclo[2.2.2...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1nc2ccccc2s1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(12.16,-7.72,;11.82,-9.91,;12.13,-11.4,;10.64,-10.73,;9,-11.44,;8.79,-9.95,;10.36,-9.25,;10.36,-7.42,;10.92,-8.69,;13.36,-9.94,;14.12,-8.6,;15.65,-8.6,;16.42,-9.94,;15.66,-11.25,;14.12,-11.25,;17.94,-9.91,;18.81,-8.49,;20.29,-9.14,;21.61,-8.35,;22.96,-9.12,;22.96,-10.67,;21.64,-11.44,;20.3,-10.67,;18.84,-11.18,)| Show InChI InChI=1S/C20H20N2OS/c23-20(13-22-11-9-16(20)10-12-22)15-7-5-14(6-8-15)19-21-17-3-1-2-4-18(17)24-19/h1-8,16,23H,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052355 (3-(2-Biphenyl-4-yl-ethyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CCc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.01,-8.04,;11.74,-9.93,;13.28,-9.93,;14.12,-11.22,;15.68,-11.12,;16.49,-12.41,;18.05,-12.34,;18.73,-10.94,;17.89,-9.65,;16.35,-9.75,;20.26,-10.86,;21.13,-12.15,;22.66,-12.06,;23.36,-10.66,;22.5,-9.37,;20.96,-9.47,;12.05,-11.43,;10.56,-10.75,;8.88,-11.47,;8.67,-9.96,;10.28,-9.27,;10.28,-7.41,;10.84,-8.69,)| Show InChI InChI=1S/C21H25NO/c23-21(16-22-14-11-20(21)12-15-22)13-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20,23H,10-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052377 (3-(Biphenyl-4-ylsulfanylmethyl)-1-aza-bicyclo[2.2....) Show SMILES OC1(CSc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.09,-8,;11.74,-10.14,;13.28,-10.14,;14.12,-11.43,;15.68,-11.32,;16.49,-12.62,;18.05,-12.55,;18.73,-11.15,;17.89,-9.86,;16.35,-9.96,;20.26,-11.07,;21.12,-12.36,;22.66,-12.27,;23.36,-10.87,;22.5,-9.58,;20.96,-9.68,;12.05,-11.64,;10.56,-10.96,;8.88,-11.67,;8.67,-10.17,;10.28,-9.47,;10.28,-7.62,;10.84,-8.9,)| Show InChI InChI=1S/C20H23NOS/c22-20(14-21-12-10-18(20)11-13-21)15-23-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052376 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octane | CHEMB...) Show SMILES C1CN2CCC1C(C2)c1ccc(cc1)-c1ccccc1 |TLB:8:6:4.3:0.1,(10.23,-6.77,;10.66,-7.87,;10.41,-9.76,;8.89,-10.44,;8.69,-9.06,;10.15,-8.42,;11.5,-9.02,;11.79,-10.41,;13.04,-9.02,;13.81,-10.36,;15.35,-10.36,;16.12,-9.03,;15.35,-7.68,;13.81,-7.68,;17.66,-9.03,;18.43,-7.68,;19.97,-7.68,;20.74,-9.02,;19.97,-10.34,;18.43,-10.34,)| Show InChI InChI=1S/C19H21N/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-20-12-10-18(19)11-13-20/h1-9,18-19H,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052358 (3-(Biphenyl-4-yloxymethyl)-1-aza-bicyclo[2.2.2]oct...) Show SMILES OC1(COc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.09,-8,;11.74,-9.89,;13.28,-9.89,;14.12,-11.17,;15.68,-11.08,;16.49,-12.37,;18.05,-12.29,;18.73,-10.91,;17.89,-9.61,;16.35,-9.71,;20.26,-10.8,;21.13,-12.09,;22.66,-12.01,;23.36,-10.63,;22.5,-9.34,;20.96,-9.44,;12.05,-11.4,;10.56,-10.7,;8.88,-11.43,;8.67,-9.93,;10.28,-9.23,;10.28,-7.38,;10.84,-8.64,)| Show InChI InChI=1S/C20H23NO2/c22-20(14-21-12-10-18(20)11-13-21)15-23-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052351 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052352 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CH...) Show SMILES C1CN2CCC1C(=C2)c1ccc(cc1)-c1ccccc1 |c:7,THB:8:6:0.1:4.3,(8.69,-9.06,;8.89,-10.44,;10.41,-9.76,;10.66,-7.87,;10.23,-6.77,;10.15,-8.42,;11.52,-9.02,;11.79,-10.41,;13.06,-9.02,;13.81,-10.36,;15.35,-10.36,;16.12,-9.03,;15.35,-7.68,;13.81,-7.68,;17.66,-9.03,;18.43,-7.68,;19.97,-7.68,;20.74,-9.02,;19.97,-10.34,;18.43,-10.34,)| Show InChI InChI=1S/C19H19N/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-20-12-10-18(19)11-13-20/h1-9,14,18H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052366 (3-(4'-Fluoro-biphenyl-4-yl)-1-aza-bicyclo[2.2.2]oc...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccc(F)cc1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(12.37,-8.38,;12.18,-10.06,;12.47,-11.56,;10.99,-10.89,;9.32,-11.6,;9.11,-10.09,;10.71,-9.39,;10.71,-7.54,;11.27,-8.82,;13.73,-10.08,;14.5,-11.39,;16.04,-11.39,;16.81,-10.08,;16.04,-8.73,;14.5,-8.73,;18.38,-10.06,;19.12,-8.73,;20.66,-8.73,;21.46,-10.06,;23.01,-10.06,;20.69,-11.39,;19.12,-11.39,)| Show InChI InChI=1S/C19H20FNO/c20-18-7-3-15(4-8-18)14-1-5-16(6-2-14)19(22)13-21-11-9-17(19)10-12-21/h1-8,17,22H,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052367 (3-(Biphenyl-4-ylsulfanyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES C1CN2CCC1C(C2)Sc1ccc(cc1)-c1ccccc1 |TLB:8:6:0.1:4.3,(11.19,-7.07,;11.75,-8.32,;11.47,-10.38,;9.79,-11.12,;9.58,-9.62,;11.19,-8.92,;12.65,-9.58,;12.96,-11.08,;13.86,-8.6,;15.3,-9.18,;16.5,-8.22,;17.93,-8.78,;18.17,-10.31,;16.95,-11.26,;15.52,-10.7,;19.6,-10.87,;20.79,-9.9,;22.22,-10.45,;22.47,-11.99,;21.25,-12.97,;19.81,-12.4,)| Show InChI InChI=1S/C19H21NS/c1-2-4-15(5-3-1)16-6-8-18(9-7-16)21-19-14-20-12-10-17(19)11-13-20/h1-9,17,19H,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052357 (3-Biphenyl-4-ylmethyl-1-aza-bicyclo[2.2.2]octane |...) Show SMILES C(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(24.24,-17.57,;22.91,-18.33,;22.91,-19.88,;21.57,-20.65,;20.23,-19.88,;20.23,-18.33,;21.57,-17.56,;20.83,-18.92,;22.32,-19.32,;25.58,-18.34,;25.57,-19.88,;26.9,-20.64,;28.23,-19.88,;28.23,-18.33,;26.9,-17.57,;29.56,-20.64,;29.56,-22.19,;30.89,-22.96,;32.23,-22.19,;32.22,-20.64,;30.89,-19.88,)| Show InChI InChI=1S/C20H23N/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-20-15-21-12-10-19(20)11-13-21/h1-9,19-20H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052341 (3-(4-Pyrimidin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]oc...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ncccn1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(13.35,-8.09,;12.95,-10.02,;13.24,-11.53,;11.76,-10.83,;10.09,-11.56,;9.88,-10.06,;11.48,-9.36,;11.48,-7.5,;12.04,-8.76,;14.5,-10.02,;15.27,-11.35,;16.81,-11.35,;17.58,-10.02,;16.81,-8.69,;15.27,-8.69,;19.15,-10.02,;19.92,-11.35,;21.47,-11.35,;22.24,-10.01,;21.46,-8.66,;19.92,-8.68,)| Show InChI InChI=1S/C17H19N3O/c21-17(12-20-10-6-15(17)7-11-20)14-4-2-13(3-5-14)16-18-8-1-9-19-16/h1-5,8-9,15,21H,6-7,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052372 (3-(4-Thiazol-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1nccs1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(13.63,-8.12,;13.18,-9.98,;13.48,-11.45,;12,-10.79,;10.34,-11.51,;10.13,-10.02,;11.72,-9.32,;11.72,-7.49,;12.28,-8.74,;14.73,-9.99,;15.47,-11.31,;17.02,-11.31,;17.78,-9.99,;16.99,-8.66,;15.47,-8.66,;19.31,-9.98,;20.22,-8.64,;21.64,-9.2,;21.66,-10.75,;20.22,-11.24,)| Show InChI InChI=1S/C16H18N2OS/c19-16(11-18-8-5-14(16)6-9-18)13-3-1-12(2-4-13)15-17-7-10-20-15/h1-4,7,10,14,19H,5-6,8-9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052364 (3-(4-Thiophen-2-yl-phenyl)-1-aza-bicyclo[2.2.2]oct...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1cccs1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(13.57,-8.02,;13.24,-10.07,;13.54,-11.57,;12.05,-10.89,;10.38,-11.6,;10.17,-10.1,;11.77,-9.41,;11.77,-7.56,;12.33,-8.84,;14.79,-10.09,;15.53,-11.42,;17.09,-11.42,;17.85,-10.09,;17.06,-8.75,;15.53,-8.75,;19.4,-10.07,;20.29,-8.84,;21.73,-9.29,;21.75,-10.86,;20.3,-11.32,)| Show InChI InChI=1S/C17H19NOS/c19-17(12-18-9-7-15(17)8-10-18)14-5-3-13(4-6-14)16-2-1-11-20-16/h1-6,11,15,19H,7-10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052344 (3-Biphenyl-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol | C...) Show SMILES OC1(CN2CCC1CC2)c1cccc(c1)-c1ccccc1 |TLB:9:1:7.8:5.4,0:1:7.8:5.4,(12.8,-5.94,;12.68,-8.03,;12.94,-9.41,;11.58,-8.79,;11.84,-6.9,;11.33,-5.72,;11.33,-7.42,;9.86,-8.06,;10.05,-9.44,;14.22,-8.03,;14.98,-6.71,;16.5,-6.71,;17.29,-8.03,;16.52,-9.38,;14.98,-9.38,;17.29,-10.69,;18.81,-10.69,;19.58,-12.03,;18.81,-13.36,;17.27,-13.36,;16.5,-12.03,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-11-9-17(19)10-12-20)18-8-4-7-16(13-18)15-5-2-1-3-6-15/h1-8,13,17,21H,9-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052362 (3-(2-Phenyl-thiazol-5-yl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CN2CCC1CC2)c1cnc(s1)-c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(13.95,-7.3,;13.57,-9.29,;13.88,-10.79,;12.38,-10.11,;10.74,-10.82,;10.53,-9.33,;12.11,-8.63,;12.11,-6.79,;12.66,-8.06,;15.12,-9.31,;16.03,-8.06,;17.48,-8.53,;17.48,-10.09,;16.02,-10.57,;18.71,-10.99,;20.12,-10.37,;21.35,-11.27,;21.2,-12.8,;19.79,-13.43,;18.56,-12.52,)| Show InChI InChI=1S/C16H18N2OS/c19-16(11-18-8-6-13(16)7-9-18)14-10-17-15(20-14)12-4-2-1-3-5-12/h1-5,10,13,19H,6-9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052373 (3-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylo...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\COCC1(O)CN2CCC1CC2 |THB:18:17:24.25:22.21,(27.52,-9.82,;26.19,-10.6,;26.22,-12.14,;24.86,-9.86,;23.52,-10.63,;22.18,-9.88,;20.86,-10.66,;20.89,-12.22,;19.51,-9.92,;18.2,-10.72,;16.85,-9.95,;15.52,-10.76,;15.56,-12.3,;14.19,-10.01,;12.86,-10.79,;11.53,-10.05,;10.18,-10.4,;8.96,-9.72,;8.95,-8.31,;9.25,-11.08,;7.87,-10.47,;6.33,-11.13,;6.16,-9.75,;7.61,-9.11,;7.61,-7.41,;8.13,-8.58,)| Show InChI InChI=1S/C23H39NO2/c1-19(2)7-5-8-20(3)9-6-10-21(4)13-16-26-18-23(25)17-24-14-11-22(23)12-15-24/h7,9,13,22,25H,5-6,8,10-12,14-18H2,1-4H3/b20-9+,21-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052361 (3-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylo...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\COC1CN2CCC1CC2 |THB:15:16:22.23:20.19,(23.82,-13.7,;22.28,-13.7,;21.51,-15.03,;21.51,-12.36,;19.97,-12.36,;19.2,-11.02,;17.66,-11.02,;16.89,-12.36,;16.89,-9.7,;15.35,-9.7,;14.58,-8.35,;13.04,-8.35,;12.27,-9.7,;12.27,-7.03,;10.73,-7.03,;9.96,-5.69,;8.42,-5.69,;8.71,-7.07,;7.33,-6.45,;5.79,-7.1,;5.61,-5.72,;7.07,-5.08,;7.07,-3.38,;7.58,-4.56,)| Show InChI InChI=1S/C22H37NO/c1-18(2)7-5-8-19(3)9-6-10-20(4)13-16-24-22-17-23-14-11-21(22)12-15-23/h7,9,13,21-22H,5-6,8,10-12,14-17H2,1-4H3/b19-9+,20-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052351 (3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052359 (3-(4'-Hydroxy-biphenyl-4-yl)-1-aza-bicyclo[2.2.2]o...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)C1(O)CN2CCC1CC2 |THB:10:13:18.17:20.21,14:13:18.17:20.21,(22.61,-10.37,;21.05,-10.37,;20.28,-9.03,;18.74,-9.04,;17.97,-10.37,;18.74,-11.7,;20.28,-11.7,;16.43,-10.37,;15.66,-11.7,;14.11,-11.7,;13.35,-10.37,;14.11,-9.04,;15.65,-9.04,;11.8,-10.37,;12.3,-8.52,;12.09,-11.88,;10.58,-11.18,;8.93,-11.91,;8.72,-10.41,;10.3,-9.71,;10.3,-7.85,;10.86,-9.11,)| Show InChI InChI=1S/C19H21NO2/c21-18-7-3-15(4-8-18)14-1-5-16(6-2-14)19(22)13-20-11-9-17(19)10-12-20/h1-8,17,21-22H,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052354 ((1-Aza-bicyclo[2.2.2]oct-3-yl)-biphenyl-4-ylmethyl...) Show SMILES C(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:2:8.9:6.5,(15.09,-11.5,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;11.56,-10.67,;11,-9.41,;11,-11.26,;9.41,-11.96,;9.62,-13.45,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;19.68,-6.18,;20.87,-5.22,;22.3,-5.78,;22.54,-7.31,;21.32,-8.27,)| Show InChI InChI=1S/C20H24N2/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-21-20-15-22-12-10-19(20)11-13-22/h1-9,19-21H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052345 (3-(4-Pyridin-4-yl-phenyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccncc1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(13.2,-8.13,;12.89,-10.05,;13.18,-11.57,;11.71,-10.88,;11.98,-8.83,;11.43,-7.56,;11.43,-9.41,;9.84,-10.1,;10.05,-11.6,;14.43,-10.08,;15.2,-11.4,;16.73,-11.4,;17.5,-10.08,;16.73,-8.74,;15.2,-8.74,;19.06,-10.07,;19.82,-8.74,;21.36,-8.74,;22.13,-10.08,;21.37,-11.4,;19.83,-11.4,)| Show InChI InChI=1S/C18H20N2O/c21-18(13-20-11-7-17(18)8-12-20)16-3-1-14(2-4-16)15-5-9-19-10-6-15/h1-6,9-10,17,21H,7-8,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052356 (3-(4-Cyclohexyl-phenyl)-1-aza-bicyclo[2.2.2]octan-...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)C1CCCCC1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(11.75,-7.58,;11.5,-9.41,;11.79,-10.79,;10.41,-10.15,;8.89,-10.82,;8.69,-9.44,;10.15,-8.8,;10.15,-7.1,;10.66,-8.26,;13.04,-9.41,;13.81,-8.06,;15.35,-8.06,;16.12,-9.41,;15.35,-10.75,;13.81,-10.75,;17.66,-9.41,;18.43,-8.08,;19.97,-8.08,;20.74,-9.41,;19.97,-10.76,;18.43,-10.75,)| Show InChI InChI=1S/C19H27NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-9,15,18,21H,1-5,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052360 (3-(4-Quinolin-3-yl-phenyl)-1-aza-bicyclo[2.2.2]oct...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1cnc2ccccc2c1 |TLB:0:1:5.4:7.8,9:1:5.4:7.8,(12.12,-8.13,;11.81,-10.06,;12.11,-11.56,;10.62,-10.86,;10.9,-8.8,;10.34,-7.54,;10.34,-9.39,;8.73,-10.09,;8.94,-11.6,;13.37,-10.06,;14.12,-8.73,;15.66,-8.73,;16.45,-10.06,;15.68,-11.39,;14.12,-11.39,;18,-10.06,;18.77,-11.39,;20.31,-11.39,;21.08,-10.05,;22.62,-10.05,;23.38,-8.72,;22.59,-7.39,;21.07,-7.4,;20.31,-8.73,;18.77,-8.73,)| Show InChI InChI=1S/C22H22N2O/c25-22(15-24-11-9-20(22)10-12-24)19-7-5-16(6-8-19)18-13-17-3-1-2-4-21(17)23-14-18/h1-8,13-14,20,25H,9-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052378 (3-(4-Pyridin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccn1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(13.07,-8.2,;12.85,-10.02,;13.14,-11.51,;11.67,-10.84,;11.95,-8.79,;11.39,-7.51,;11.39,-9.36,;9.81,-10.05,;10.02,-11.54,;14.39,-10.04,;15.16,-8.7,;16.68,-8.7,;17.45,-10.04,;16.68,-11.36,;15.16,-11.36,;19,-10.02,;19.76,-8.7,;21.3,-8.7,;22.07,-10.04,;21.3,-11.36,;19.76,-11.36,)| Show InChI InChI=1S/C18H20N2O/c21-18(13-20-11-8-16(18)9-12-20)15-6-4-14(5-7-15)17-3-1-2-10-19-17/h1-7,10,16,21H,8-9,11-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052374 (3-(4-Pyridin-3-yl-phenyl)-1-aza-bicyclo[2.2.2]octa...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1cccnc1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(12.97,-8.1,;12.85,-10.02,;13.14,-11.51,;11.67,-10.84,;11.95,-8.79,;11.39,-7.51,;11.39,-9.36,;9.81,-10.05,;10.02,-11.54,;14.39,-10.04,;15.16,-11.36,;16.68,-11.36,;17.45,-10.04,;16.68,-8.7,;15.16,-8.7,;19,-10.02,;19.76,-8.7,;21.3,-8.7,;22.07,-10.02,;21.3,-11.36,;19.76,-11.37,)| Show InChI InChI=1S/C18H20N2O/c21-18(13-20-10-7-17(18)8-11-20)16-5-3-14(4-6-16)15-2-1-9-19-12-15/h1-6,9,12,17,21H,7-8,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052349 (3-[1,1';4',1'']Terphenyl-4-yl-1-aza-bicyclo[2.2.2]...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |THB:0:1:7.8:5.4,9:1:7.8:5.4,(9.43,-7.58,;9.22,-9.41,;9.48,-10.79,;8.12,-10.15,;6.59,-10.82,;6.4,-9.44,;7.86,-8.8,;7.86,-7.1,;8.37,-8.26,;10.76,-9.41,;11.52,-8.06,;13.04,-8.06,;13.83,-9.41,;13.06,-10.75,;11.52,-10.75,;15.37,-9.41,;16.14,-10.73,;17.68,-10.73,;18.45,-9.4,;17.66,-8.06,;16.12,-8.06,;19.99,-9.4,;20.74,-8.06,;22.28,-8.06,;23.05,-9.4,;22.28,-10.73,;20.74,-10.73,)| Show InChI InChI=1S/C25H25NO/c27-25(18-26-16-14-24(25)15-17-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,24,27H,14-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052346 (3-((Z)-2-Biphenyl-4-yl-vinyl)-1-aza-bicyclo[2.2.2]...) Show SMILES C1CN2CCC1C(C2)\C=C/c1ccc(cc1)-c1ccccc1 |THB:8:6:4.3:0.1,(12.4,-6.87,;12.61,-8.37,;14.26,-7.64,;14.54,-5.59,;13.98,-4.33,;13.98,-6.18,;15.44,-6.84,;15.76,-8.34,;16.66,-5.86,;18.09,-6.44,;18.06,-7.98,;19.41,-8.69,;19.45,-10.22,;18.15,-11.04,;16.79,-10.29,;16.76,-8.76,;18.18,-12.59,;19.52,-13.31,;19.58,-14.84,;18.27,-15.65,;16.91,-14.92,;16.87,-13.38,)| Show InChI InChI=1S/C21H23N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-11,20-21H,12-16H2/b11-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052371 (Biphenyl-4-carboxylic acid (1-aza-bicyclo[2.2.2]oc...) Show SMILES O=C(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |THB:2:3:9.10:7.6,(15.33,-13.04,;15.09,-11.5,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;9.62,-13.45,;9.41,-11.96,;11,-11.26,;11,-9.41,;11.56,-10.67,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;21.32,-8.27,;22.54,-7.31,;22.3,-5.78,;20.87,-5.22,;19.68,-6.18,)| Show InChI InChI=1S/C20H22N2O/c23-20(21-19-14-22-12-10-17(19)11-13-22)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19H,10-14H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052340 (3-(4-[1,3]Dioxan-2-yl-phenyl)-1-aza-bicyclo[2.2.2]...) Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)C1OCCCO1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(11.68,-7.51,;11.5,-9.25,;11.79,-10.63,;10.41,-10.01,;10.66,-8.12,;10.15,-6.94,;10.15,-8.64,;8.69,-9.28,;8.89,-10.66,;13.04,-9.25,;13.81,-10.6,;15.35,-10.6,;16.12,-9.25,;15.35,-7.92,;13.81,-7.92,;17.66,-9.25,;18.43,-7.94,;19.97,-7.94,;20.74,-9.27,;19.97,-10.6,;18.43,-10.6,)| Show InChI InChI=1S/C17H23NO3/c19-17(12-18-8-6-15(17)7-9-18)14-4-2-13(3-5-14)16-20-10-1-11-21-16/h2-5,15-16,19H,1,6-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052347 (3-(Biphenyl-4-sulfinylmethyl)-1-aza-bicyclo[2.2.2]...) Show SMILES OC1(CS(=O)c2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:22.23:20.19,0:1:22.23:20.19,(12.09,-7.87,;11.74,-9.65,;13.28,-9.65,;14.12,-10.94,;13.23,-12.58,;15.68,-10.84,;16.49,-12.13,;18.05,-12.06,;18.73,-10.66,;17.89,-9.37,;16.35,-9.47,;20.26,-10.58,;20.96,-9.19,;22.5,-9.09,;23.36,-10.38,;22.66,-11.78,;21.12,-11.87,;12.05,-11.15,;10.56,-10.47,;8.88,-11.18,;8.67,-9.68,;10.28,-8.99,;10.28,-7.13,;10.84,-8.41,)| Show InChI InChI=1S/C20H23NO2S/c22-20(14-21-12-10-18(20)11-13-21)15-24(23)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052348 (Biphenyl-4-sulfonic acid (1-aza-bicyclo[2.2.2]oct-...) Show SMILES O=S(=O)(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |THB:3:4:8.7:10.11,(15.72,-13.38,;15.09,-11.5,;14.67,-9.03,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;9.62,-13.45,;9.41,-11.96,;11,-11.26,;11,-9.41,;11.56,-10.67,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;19.68,-6.18,;20.87,-5.22,;22.3,-5.78,;22.54,-7.31,;21.32,-8.27,)| Show InChI InChI=1S/C19H22N2O2S/c22-24(23,20-19-14-21-12-10-17(19)11-13-21)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19-20H,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052369 ((1-Aza-bicyclo[2.2.2]oct-3-yl)-biphenyl-4-yl-metha...) Show SMILES OC(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:2:8.9:6.5,(13.02,-8,;13.53,-9.45,;12.32,-10.4,;12.62,-11.9,;11.14,-11.23,;11.42,-9.17,;10.86,-7.89,;10.86,-9.74,;9.25,-10.44,;9.46,-11.94,;15.04,-9.45,;15.81,-8.1,;17.34,-8.1,;18.14,-9.45,;17.37,-10.78,;15.81,-10.78,;19.68,-9.43,;20.44,-8.1,;21.97,-8.1,;22.75,-9.43,;21.98,-10.78,;20.44,-10.78,)| Show InChI InChI=1S/C20H23NO/c22-20(19-14-21-12-10-17(19)11-13-21)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19-20,22H,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052375 (3-(Biphenyl-4-sulfonylmethyl)-1-aza-bicyclo[2.2.2]...) Show SMILES OC1(CS(=O)(=O)c2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |TLB:2:1:23.24:21.20,0:1:23.24:21.20,(12.01,-7.79,;11.74,-9.65,;13.28,-9.65,;14.12,-10.94,;13.31,-12.58,;14.63,-9.18,;15.68,-10.84,;16.35,-9.47,;17.89,-9.37,;18.73,-10.66,;18.05,-12.06,;16.49,-12.13,;20.26,-10.58,;21.12,-11.87,;22.66,-11.78,;23.36,-10.38,;22.5,-9.09,;20.96,-9.19,;12.05,-11.15,;10.56,-10.47,;10.84,-8.41,;10.28,-7.13,;10.28,-8.99,;8.67,-9.68,;8.88,-11.18,)| Show InChI InChI=1S/C20H23NO3S/c22-20(14-21-12-10-18(20)11-13-21)15-25(23,24)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052369 ((1-Aza-bicyclo[2.2.2]oct-3-yl)-biphenyl-4-yl-metha...) Show SMILES OC(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:2:8.9:6.5,(13.02,-8,;13.53,-9.45,;12.32,-10.4,;12.62,-11.9,;11.14,-11.23,;11.42,-9.17,;10.86,-7.89,;10.86,-9.74,;9.25,-10.44,;9.46,-11.94,;15.04,-9.45,;15.81,-8.1,;17.34,-8.1,;18.14,-9.45,;17.37,-10.78,;15.81,-10.78,;19.68,-9.43,;20.44,-8.1,;21.97,-8.1,;22.75,-9.43,;21.98,-10.78,;20.44,-10.78,)| Show InChI InChI=1S/C20H23NO/c22-20(19-14-21-12-10-17(19)11-13-21)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19-20,22H,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052370 (3-(Biphenyl-4-sulfonyl)-1-aza-bicyclo[2.2.2]octane...) Show SMILES O=S(=O)(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:3:9.10:7.6,(13.29,-7.36,;13.52,-8.9,;14.08,-10.6,;12.31,-9.84,;12.61,-11.34,;11.13,-10.67,;11.4,-8.62,;10.85,-7.35,;10.85,-9.2,;9.24,-9.9,;9.45,-11.39,;15.03,-8.88,;15.79,-10.22,;17.35,-10.22,;18.12,-8.9,;17.33,-7.56,;15.79,-7.56,;19.66,-8.88,;20.42,-10.22,;21.96,-10.22,;22.73,-8.88,;21.95,-7.54,;20.42,-7.56,)| Show InChI InChI=1S/C19H21NO2S/c21-23(22,19-14-20-12-10-17(19)11-13-20)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19H,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50052363 (3-Phenyl-1-aza-bicyclo[2.2.2]octan-3-ol | CHEMBL10...) Show SMILES OC1(CN2CCC1CC2)c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(14,-7.48,;13.81,-9.44,;14.1,-10.82,;12.72,-10.2,;11.2,-10.86,;11,-9.48,;12.46,-8.83,;12.46,-7.13,;12.97,-8.31,;15.35,-9.44,;16.12,-8.12,;17.66,-8.12,;18.43,-9.44,;17.66,-10.79,;16.12,-10.79,)| Show InChI InChI=1S/C13H17NO/c15-13(11-4-2-1-3-5-11)10-14-8-6-12(13)7-9-14/h1-5,12,15H,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition against rat microsomal squalene synthase (SS)				J Med Chem 39: 2971-9 (1996) Article DOI: 10.1021/jm950907l BindingDB Entry DOI: 10.7270/Q24J0D7G
					More data for this Ligand-Target Pair

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