Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'lee' and Initial = 'dj'   

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)	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 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 Compound was measured for the inhibition of rat microsomal squalene synthase enzyme				J Med Chem 42: 1306-11 (1999) Article DOI: 10.1021/jm990038q BindingDB Entry DOI: 10.7270/Q23X85TQ
					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 Compound was measured for the inhibition of rat microsomal squalene synthase enzyme				J Med Chem 42: 1306-11 (1999) Article DOI: 10.1021/jm990038q BindingDB Entry DOI: 10.7270/Q23X85TQ
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50095601 (CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...) Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1 |THB:13:14:20.21:18.17,(8.94,-7.02,;7.44,-6.62,;7.03,-5.14,;5.55,-4.75,;4.47,-5.85,;4.87,-7.34,;6.36,-7.72,;2.98,-5.45,;1.89,-6.55,;2.57,-3.96,;1.08,-3.58,;.68,-2.09,;1.76,-.99,;1.36,.49,;-.13,.89,;-1.37,.23,;-2.35,1.8,;-4.22,1.75,;-2.98,2.49,;-1.1,2.42,;-.62,3.39,;-1.73,3.01,;3.25,-1.38,;3.65,-2.86,)| Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Compound was tested for its inhibition against human OSC enzyme				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50095598 (CHEMBL70223 | [4-(4-Bromo-benzenesulfonyl)-piperaz...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncn1 Show InChI InChI=1S/C20H24BrN5O3S/c21-17-1-3-18(4-2-17)30(28,29)26-13-11-25(12-14-26)20(27)16-6-9-24(10-7-16)19-5-8-22-15-23-19/h1-5,8,15-16H,6-7,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Compound was tested for its inhibition against human OSC enzyme				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50095601 (CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...) Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1 |THB:13:14:20.21:18.17,(8.94,-7.02,;7.44,-6.62,;7.03,-5.14,;5.55,-4.75,;4.47,-5.85,;4.87,-7.34,;6.36,-7.72,;2.98,-5.45,;1.89,-6.55,;2.57,-3.96,;1.08,-3.58,;.68,-2.09,;1.76,-.99,;1.36,.49,;-.13,.89,;-1.37,.23,;-2.35,1.8,;-4.22,1.75,;-2.98,2.49,;-1.1,2.42,;-.62,3.39,;-1.73,3.01,;3.25,-1.38,;3.65,-2.86,)| Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro percent inhibitory activityof the compound against rat microsomal OSC enzyme at 1 microM concentration				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50095600 (CHEMBL148268 | [4-(4-Iodo-benzenesulfonyl)-piperaz...) Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H25IN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene cyclase-Lanosterol synthase (OSC)				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50095599 (CHEMBL25285 | {4-[4-(4,5-Dihydro-oxazol-2-yl)-benz...) Show SMILES FC(F)(F)c1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1)-[#6]-1=[#7]-[#6]-[#6]-[#8]-1 |t:28| Show InChI InChI=1S/C23H21F3N2O2/c24-23(25,26)20-7-5-19(6-8-20)22(29)28-12-9-17(10-13-28)15-16-1-3-18(4-2-16)21-27-11-14-30-21/h1-8,15H,9-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene lanosterol cyclase (OSC)				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol 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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of compound was measured on rat microsomal Oxidosqualene-lanosterol cyclase				J Med Chem 42: 1306-11 (1999) Article DOI: 10.1021/jm990038q BindingDB Entry DOI: 10.7270/Q23X85TQ
					More data for this Ligand-Target Pair
Lanosterol 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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of compound was measured on rat microsomal Oxidosqualene-lanosterol cyclase				J Med Chem 42: 1306-11 (1999) Article DOI: 10.1021/jm990038q BindingDB Entry DOI: 10.7270/Q23X85TQ
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50095597 (CHEMBL359233 | [4-(4-Bromo-benzenesulfonyl)-pipera...) Show SMILES Cc1nccc(n1)N1CCC(CC1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H26BrN5O3S/c1-16-23-9-6-20(24-16)25-10-7-17(8-11-25)21(28)26-12-14-27(15-13-26)31(29,30)19-4-2-18(22)3-5-19/h2-6,9,17H,7-8,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Compound was tested for its inhibition against human OSC enzyme				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50095598 (CHEMBL70223 | [4-(4-Bromo-benzenesulfonyl)-piperaz...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncn1 Show InChI InChI=1S/C20H24BrN5O3S/c21-17-1-3-18(4-2-17)30(28,29)26-13-11-25(12-14-26)20(27)16-6-9-24(10-7-16)19-5-8-22-15-23-19/h1-5,8,15-16H,6-7,9-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Compound was tested for its inhibition against rat OSC enzyme				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50095595 ((4-Benzenesulfonyl-piperazin-1-yl)-(3,4,5,6-tetrah...) Show SMILES O=C(C1CCN(CC1)c1ccncc1)N1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27,28)20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Compound was tested for its inhibition against human OSC enzyme				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50095596 (CHEMBL70222 | [4-(4-Bromo-benzenesulfonyl)-piperaz...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H25BrN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Compound was tested for its inhibition against human OSC enzyme				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50095596 (CHEMBL70222 | [4-(4-Bromo-benzenesulfonyl)-piperaz...) Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C21H25BrN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene lanosterol cyclase (OSC)				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50095595 ((4-Benzenesulfonyl-piperazin-1-yl)-(3,4,5,6-tetrah...) Show SMILES O=C(C1CCN(CC1)c1ccncc1)N1CCN(CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27,28)20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	326	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene lanosterol cyclase (OSC)				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50095597 (CHEMBL359233 | [4-(4-Bromo-benzenesulfonyl)-pipera...) Show SMILES Cc1nccc(n1)N1CCC(CC1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H26BrN5O3S/c1-16-23-9-6-20(24-16)25-10-7-17(8-11-25)21(28)26-12-14-27(15-13-26)31(29,30)19-4-2-18(22)3-5-19/h2-6,9,17H,7-8,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Compound was tested for its inhibition against rat OSC enzyme				J Med Chem 43: 4964-72 (2001) BindingDB Entry DOI: 10.7270/Q2WW7GX6
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127066 (5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-N-[2-(4-fluoro-...) Show SMILES COc1ccc(OC)c(CCc2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FNO4/c1-30-21-10-12-24(31-2)19(16-21)7-3-18-6-11-23(28)22(15-18)25(29)27-14-13-17-4-8-20(26)9-5-17/h4-6,8-12,15-16,28H,3,7,13-14H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50009568 ((Thiocolchicine)N-(1,2,3-Trimethoxy-10-methylsulfa...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127073 (5-[2-(2,5-Dimethoxy-phenyl)-acetyl]-N-[2-(4-fluoro...) Show SMILES COc1ccc(OC)c(CC(=O)c2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C25H24FNO5/c1-31-20-8-10-24(32-2)18(13-20)15-23(29)17-5-9-22(28)21(14-17)25(30)27-12-11-16-3-6-19(26)7-4-16/h3-10,13-14,28H,11-12,15H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50035218 (CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127070 (5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-[2-(4-fluoro-...) Show SMILES Oc1ccc(O)c(\C=C\c2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C23H20FNO4/c24-18-6-2-15(3-7-18)11-12-25-23(29)20-13-16(4-9-22(20)28)1-5-17-14-19(26)8-10-21(17)27/h1-10,13-14,26-28H,11-12H2,(H,25,29)/b5-1+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127061 (5-(2,5-Dihydroxy-phenylethynyl)-2-hydroxy-N-phenet...) Show SMILES Oc1ccc(O)c(c1)C#Cc1ccc(O)c(c1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C23H19NO4/c25-19-9-11-21(26)18(15-19)8-6-17-7-10-22(27)20(14-17)23(28)24-13-12-16-4-2-1-3-5-16/h1-5,7,9-11,14-15,25-27H,12-13H2,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127068 (5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-2-hydroxy-N-phe...) Show SMILES Oc1ccc(O)c(\C=C\c2ccc(O)c(c2)C(=O)NCCc2ccccc2)c1 Show InChI InChI=1S/C23H21NO4/c25-19-9-11-21(26)18(15-19)8-6-17-7-10-22(27)20(14-17)23(28)24-13-12-16-4-2-1-3-5-16/h1-11,14-15,25-27H,12-13H2,(H,24,28)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127064 (5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-hexyl-2-hydro...) Show SMILES CCCCCCNC(=O)c1cc(\C=C/c2cc(O)ccc2O)ccc1O Show InChI InChI=1S/C21H25NO4/c1-2-3-4-5-12-22-21(26)18-13-15(7-10-20(18)25)6-8-16-14-17(23)9-11-19(16)24/h6-11,13-14,23-25H,2-5,12H2,1H3,(H,22,26)/b8-6-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127077 (5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-[2-(4-fluoro-...) Show SMILES Oc1ccc(O)c(\C=C/c2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C23H20FNO4/c24-18-6-2-15(3-7-18)11-12-25-23(29)20-13-16(4-9-22(20)28)1-5-17-14-19(26)8-10-21(17)27/h1-10,13-14,26-28H,11-12H2,(H,25,29)/b5-1-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127063 (5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-hexyl-2-hydro...) Show SMILES CCCCCCNC(=O)c1cc(\C=C\c2cc(O)ccc2O)ccc1O Show InChI InChI=1S/C21H25NO4/c1-2-3-4-5-12-22-21(26)18-13-15(7-10-20(18)25)6-8-16-14-17(23)9-11-19(16)24/h6-11,13-14,23-25H,2-5,12H2,1H3,(H,22,26)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127078 (5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-2-hydroxy-N-phe...) Show SMILES Oc1ccc(O)c(\C=C/c2ccc(O)c(c2)C(=O)NCCc2ccccc2)c1 Show InChI InChI=1S/C23H21NO4/c25-19-9-11-21(26)18(15-19)8-6-17-7-10-22(27)20(14-17)23(28)24-13-12-16-4-2-1-3-5-16/h1-11,14-15,25-27H,12-13H2,(H,24,28)/b8-6-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127076 (5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-2-hydroxy-N-phe...) Show SMILES Oc1ccc(O)c(CCc2ccc(O)c(c2)C(=O)NCCc2ccccc2)c1 Show InChI InChI=1S/C23H23NO4/c25-19-9-11-21(26)18(15-19)8-6-17-7-10-22(27)20(14-17)23(28)24-13-12-16-4-2-1-3-5-16/h1-5,7,9-11,14-15,25-27H,6,8,12-13H2,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127065 (5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-hexyl-2-hydro...) Show SMILES CCCCCCNC(=O)c1cc(CCc2cc(O)ccc2O)ccc1O Show InChI InChI=1S/C21H27NO4/c1-2-3-4-5-12-22-21(26)18-13-15(7-10-20(18)25)6-8-16-14-17(23)9-11-19(16)24/h7,9-11,13-14,23-25H,2-6,8,12H2,1H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50102416 (5-(2,5-Dihydroxy-benzylamino)-N-[2-(4-fluoro-pheny...) Show SMILES Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C22H21FN2O4/c23-16-3-1-14(2-4-16)9-10-24-22(29)19-12-17(5-7-21(19)28)25-13-15-11-18(26)6-8-20(15)27/h1-8,11-12,25-28H,9-10,13H2,(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50119653 (4-(2,5-Dihydroxy-benzylamino)-7-methoxy-2-phenethy...) Show SMILES COc1ccc(NCc2cc(O)ccc2O)c2CN(CCc3ccccc3)C(=O)c12 Show InChI InChI=1S/C24H24N2O4/c1-30-22-10-8-20(25-14-17-13-18(27)7-9-21(17)28)19-15-26(24(29)23(19)22)12-11-16-5-3-2-4-6-16/h2-10,13,25,27-28H,11-12,14-15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerizationat concentration 10 microM				J Med Chem 45: 4774-85 (2002) BindingDB Entry DOI: 10.7270/Q2V40TJV
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127071 (5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-[2-(4-fluoro-...) Show SMILES Oc1ccc(O)c(CCc2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C23H22FNO4/c24-18-6-2-15(3-7-18)11-12-25-23(29)20-13-16(4-9-22(20)28)1-5-17-14-19(26)8-10-21(17)27/h2-4,6-10,13-14,26-28H,1,5,11-12H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127067 (5-(2,5-Dimethoxy-phenylethynyl)-2-methoxy-benzoic ...) Show SMILES COc1ccc(OC)c(c1)C#Cc1ccc(OC)c(c1)C(O)=O Show InChI InChI=1S/C18H16O5/c1-21-14-7-9-16(22-2)13(11-14)6-4-12-5-8-17(23-3)15(10-12)18(19)20/h5,7-11H,1-3H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127062 (5-(2,5-Dimethoxy-phenylethynyl)-2-methoxy-benzoic ...) Show SMILES COC(=O)c1cc(ccc1OC)C#Cc1cc(OC)ccc1OC Show InChI InChI=1S/C19H18O5/c1-21-15-8-10-17(22-2)14(12-15)7-5-13-6-9-18(23-3)16(11-13)19(20)24-4/h6,8-12H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127069 (5-[2-(2,5-Dimethoxy-phenyl)-vinyl]-N-[2-(4-fluoro-...) Show SMILES COc1ccc(OC)c(\C=C/c2ccc(OC)c(c2)C(=O)NCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C26H26FNO4/c1-30-22-11-13-24(31-2)20(17-22)8-4-19-7-12-25(32-3)23(16-19)26(29)28-15-14-18-5-9-21(27)10-6-18/h4-13,16-17H,14-15H2,1-3H3,(H,28,29)/b8-4-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127072 (5-(2,5-Dimethoxy-phenylethynyl)-N-[2-(4-fluoro-phe...) Show SMILES COc1ccc(OC)c(c1)C#Cc1ccc(OC)c(c1)C(=O)NCCc1ccc(F)cc1 Show InChI InChI=1S/C26H24FNO4/c1-30-22-11-13-24(31-2)20(17-22)8-4-19-7-12-25(32-3)23(16-19)26(29)28-15-14-18-5-9-21(27)10-6-18/h5-7,9-13,16-17H,14-15H2,1-3H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127060 (5-(2,5-Dimethoxy-phenylethynyl)-N-hexyl-2-methoxy-...) Show SMILES CCCCCCNC(=O)c1cc(ccc1OC)C#Cc1cc(OC)ccc1OC Show InChI InChI=1S/C24H29NO4/c1-5-6-7-8-15-25-24(26)21-16-18(10-13-23(21)29-4)9-11-19-17-20(27-2)12-14-22(19)28-3/h10,12-14,16-17H,5-8,15H2,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50127074 (5-[2-(2,5-Dimethoxy-phenyl)-vinyl]-2-methoxy-N-phe...) Show SMILES COc1ccc(OC)c(\C=C/c2ccc(OC)c(c2)C(=O)NCCc2ccccc2)c1 Show InChI InChI=1S/C26H27NO4/c1-29-22-12-14-24(30-2)21(18-22)11-9-20-10-13-25(31-3)23(17-20)26(28)27-16-15-19-7-5-4-6-8-19/h4-14,17-18H,15-16H2,1-3H3,(H,27,28)/b11-9-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration				J Med Chem 46: 1670-82 (2003) Article DOI: 10.1021/jm020292+ BindingDB Entry DOI: 10.7270/Q2HD7V1V
					More data for this Ligand-Target Pair

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