Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50004848   

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)	BDBM50029174 (CHEMBL131973 | N-(1-methylethyl)-3-[(3-prop-2-en-1...) Show SMILES CC(C)NCCCOc1ccc(cc1CC=C)-c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029177 (CHEMBL134337 | Propionic acid 3-allyl-4-(3-isoprop...) Show SMILES CCC(=O)Oc1ccc(OCCCNC(C)C)c(CC=C)c1 Show InChI InChI=1S/C18H27NO3/c1-5-8-15-13-16(22-18(20)6-2)9-10-17(15)21-12-7-11-19-14(3)4/h5,9-10,13-14,19H,1,6-8,11-12H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029166 (Acetaldehyde O-[3-allyl-4-(3-isopropylamino-propox...) Show SMILES C\C=N\OCc1ccc(OCCCNC(C)C)c(CC=C)c1 Show InChI InChI=1S/C18H28N2O2/c1-5-8-17-13-16(14-22-20-6-2)9-10-18(17)21-12-7-11-19-15(3)4/h5-6,9-10,13,15,19H,1,7-8,11-12,14H2,2-4H3/b20-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029159 (CHEMBL132881 | [3-(2-Allyl-4-butoxy-phenoxy)-propy...) Show SMILES CCCCOc1ccc(OCCCNC(C)C)c(CC=C)c1 Show InChI InChI=1S/C19H31NO2/c1-5-7-13-21-18-10-11-19(17(15-18)9-6-2)22-14-8-12-20-16(3)4/h6,10-11,15-16,20H,2,5,7-9,12-14H2,1,3-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029171 (CHEMBL341371 | N-[3-Benzyl-4-(3-isopropylamino-pro...) Show SMILES CCC(=O)Nc1ccc(OCCCNC(C)C)c(Cc2ccccc2)c1 Show InChI InChI=1S/C22H30N2O2/c1-4-22(25)24-20-11-12-21(26-14-8-13-23-17(2)3)19(16-20)15-18-9-6-5-7-10-18/h5-7,9-12,16-17,23H,4,8,13-15H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029179 (1-[3-Allyl-4-(3-isopropylamino-propoxy)-phenyl]-bu...) Show SMILES CCCC(=O)c1ccc(OCCCNC(C)C)c(CC=C)c1 Show InChI InChI=1S/C19H29NO2/c1-5-8-17-14-16(18(21)9-6-2)10-11-19(17)22-13-7-12-20-15(3)4/h5,10-11,14-15,20H,1,6-9,12-13H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029163 (CHEMBL340992 | Propionic acid 4-(3-isopropylamino-...) Show SMILES CCC(=O)Oc1ccc(OCCCNC(C)C)cc1 Show InChI InChI=1S/C15H23NO3/c1-4-15(17)19-14-8-6-13(7-9-14)18-11-5-10-16-12(2)3/h6-9,12,16H,4-5,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029170 (1-[3-Allyl-4-(2-hydroxy-3-isopropylamino-propoxy)-...) Show SMILES CCCC(=O)c1ccc(OCC(O)CNC(C)C)c(CC=C)c1 Show InChI InChI=1S/C19H29NO3/c1-5-7-16-11-15(18(22)8-6-2)9-10-19(16)23-13-17(21)12-20-14(3)4/h5,9-11,14,17,20-21H,1,6-8,12-13H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029161 (CHEMBL433864 | N-{3-Allyl-4-[3-(isopropyl-methyl-a...) Show SMILES CCC(=O)Nc1ccc(OCCCN(C)C(C)C)c(CC=C)c1 Show InChI InChI=1S/C19H30N2O2/c1-6-9-16-14-17(20-19(22)7-2)10-11-18(16)23-13-8-12-21(5)15(3)4/h6,10-11,14-15H,1,7-9,12-13H2,2-5H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029172 (CHEMBL131930 | [3-(2-Benzyl-phenoxy)-propyl]-isopr...) Show SMILES CC(C)NCCCOc1ccccc1Cc1ccccc1 Show InChI InChI=1S/C19H25NO/c1-16(2)20-13-8-14-21-19-12-7-6-11-18(19)15-17-9-4-3-5-10-17/h3-7,9-12,16,20H,8,13-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029181 (CHEMBL134211 | [3-(2-Allyl-phenoxy)-propyl]-isopro...) Show SMILES CC(C)NCCCOc1ccccc1CC=C Show InChI InChI=1S/C15H23NO/c1-4-8-14-9-5-6-10-15(14)17-12-7-11-16-13(2)3/h4-6,9-10,13,16H,1,7-8,11-12H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029165 (CHEMBL132207 | [3-(4-Butoxy-phenoxy)-propyl]-isopr...) Show SMILES CCCCOc1ccc(OCCCNC(C)C)cc1 Show InChI InChI=1S/C16H27NO2/c1-4-5-12-18-15-7-9-16(10-8-15)19-13-6-11-17-14(2)3/h7-10,14,17H,4-6,11-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029168 (CHEMBL133996 | N-[3-Allyl-4-(3-isopropylamino-prop...) Show SMILES CC(C)NCCCOc1ccc(NC(C)=O)cc1CC=C Show InChI InChI=1S/C17H26N2O2/c1-5-7-15-12-16(19-14(4)20)8-9-17(15)21-11-6-10-18-13(2)3/h5,8-9,12-13,18H,1,6-7,10-11H2,2-4H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029169 (CHEMBL134210 | [3-(Biphenyl-4-yloxy)-propyl]-isopr...) Show SMILES CC(C)NCCCOc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H23NO/c1-15(2)19-13-6-14-20-18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12,15,19H,6,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029162 (3-Allyl-4-(3-isopropylamino-propoxy)-phenylamine |...) Show SMILES CC(C)NCCCOc1ccc(N)cc1CC=C Show InChI InChI=1S/C15H24N2O/c1-4-6-13-11-14(16)7-8-15(13)18-10-5-9-17-12(2)3/h4,7-8,11-12,17H,1,5-6,9-10,16H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029175 (CHEMBL337731 | [3-(Biphenyl-3-yloxy)-propyl]-isopr...) Show SMILES CC(C)NCCCOc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H23NO/c1-15(2)19-12-7-13-20-18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029176 (CHEMBL334964 | N-[3-Benzyl-4-(2-hydroxy-3-isopropy...) Show SMILES CCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(Cc2ccccc2)c1 Show InChI InChI=1S/C22H30N2O3/c1-4-22(26)24-19-10-11-21(27-15-20(25)14-23-16(2)3)18(13-19)12-17-8-6-5-7-9-17/h5-11,13,16,20,23,25H,4,12,14-15H2,1-3H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029182 (4-(2-Hydroxy-3-isopropylamino-propoxy)-benzoic aci...) Show SMILES CCOC(=O)c1ccc(OCC(O)CNC(C)C)cc1 Show InChI InChI=1S/C15H23NO4/c1-4-19-15(18)12-5-7-14(8-6-12)20-10-13(17)9-16-11(2)3/h5-8,11,13,16-17H,4,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029164 (CHEMBL133161 | N-[4-(3-Isopropylamino-propoxy)-phe...) Show SMILES CC(C)NCCCOc1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C14H22N2O2/c1-11(2)15-9-4-10-18-14-7-5-13(6-8-14)16-12(3)17/h5-8,11,15H,4,9-10H2,1-3H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029178 (CHEMBL133495 | Isopropyl-[3-(4-pyridin-3-yl-phenox...) Show SMILES CC(C)NCCCOc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C17H22N2O/c1-14(2)19-11-4-12-20-17-8-6-15(7-9-17)16-5-3-10-18-13-16/h3,5-10,13-14,19H,4,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029180 (CHEMBL132078 | {3-[2-((E)-2,6-Dimethyl-hepta-1,5-d...) Show SMILES [#6]-[#6](-[#6])-[#7](-[#6])-[#6]-[#6]-[#6]-[#8]-c1ccccc1\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6] Show InChI InChI=1S/C22H35NO/c1-18(2)11-9-12-20(5)17-21-13-7-8-14-22(21)24-16-10-15-23(6)19(3)4/h7-8,11,13-14,17,19H,9-10,12,15-16H2,1-6H3/b20-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029173 (1-(Biphenyl-4-yloxy)-3-isopropylamino-propan-2-ol ...) Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C18H23NO2/c1-14(2)19-12-17(20)13-21-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11,14,17,19-20H,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029158 (CHEMBL423520 | [3-(4-Butoxy-phenoxy)-2-methoxy-pro...) Show SMILES CCCCOc1ccc(OCC(CNC(C)C)OC)cc1 Show InChI InChI=1S/C17H29NO3/c1-5-6-11-20-15-7-9-16(10-8-15)21-13-17(19-4)12-18-14(2)3/h7-10,14,17-18H,5-6,11-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM25764 (ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...) Show SMILES CC(C)NCC(O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029167 (1-(2-Benzyl-phenoxy)-3-isopropylamino-propan-2-ol ...) Show SMILES CC(C)NCC(O)COc1ccccc1Cc1ccccc1 Show InChI InChI=1S/C19H25NO2/c1-15(2)20-13-18(21)14-22-19-11-7-6-10-17(19)12-16-8-4-3-5-9-16/h3-11,15,18,20-21H,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50029160 (CHEMBL55300 | Disodium salt of 13-[-2,6,10-trimeth...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]P([#8-])(=O)[#6](-[#8-])=O Show InChI InChI=1S/C17H29O5P/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-23(20,21)17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3,(H,18,19)(H,20,21)/p-2/b15-10+,16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair