Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'griffiths' and Initial = 'd'   

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
Renin (Homo sapiens (Human))	BDBM50012922 (4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic ...) Show SMILES CC(C)CC(NCc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C46H59N9O4/c1-30(2)22-38-44-54-53-43(55(44)29-40(50-38)34-17-9-6-10-18-34)36(24-33-16-13-20-47-27-33)45(58)52-42(57)26-41(56)37(25-32-14-7-5-8-15-32)51-46(59)39(23-31(3)4)49-28-35-19-11-12-21-48-35/h6,9-13,16-21,27,29-32,36-37,39,41,49,56H,5,7-8,14-15,22-26,28H2,1-4H3,(H,51,59)(H,52,57,58)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012922 (4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic ...) Show SMILES CC(C)CC(NCc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C46H59N9O4/c1-30(2)22-38-44-54-53-43(55(44)29-40(50-38)34-17-9-6-10-18-34)36(24-33-16-13-20-47-27-33)45(58)52-42(57)26-41(56)37(25-32-14-7-5-8-15-32)51-46(59)39(23-31(3)4)49-28-35-19-11-12-21-48-35/h6,9-13,16-21,27,29-32,36-37,39,41,49,56H,5,7-8,14-15,22-26,28H2,1-4H3,(H,51,59)(H,52,57,58)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					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
Renin (Homo sapiens (Human))	BDBM50012928 (2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...) Show SMILES CCCc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NCc1cccc(CN)c1)-c1cccnc1 Show InChI InChI=1S/C46H60N10O4/c1-4-11-37-44-55-54-43(56(44)29-40(51-37)35-17-10-19-49-28-35)36(22-34-16-9-18-48-26-34)45(59)53-42(58)24-41(57)38(23-31-12-6-5-7-13-31)52-46(60)39(20-30(2)3)50-27-33-15-8-14-32(21-33)25-47/h8-10,14-19,21,26,28-31,36,38-39,41,50,57H,4-7,11-13,20,22-25,27,47H2,1-3H3,(H,52,60)(H,53,58,59)/t36?,38-,39?,41-/m0/s1	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012923 (2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...) Show SMILES CC(C)CC(NCc1cccc(CN)c1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C48H63N9O4/c1-31(2)21-40-46-56-55-45(57(46)30-42(52-40)37-18-9-6-10-19-37)38(24-36-17-12-20-50-28-36)47(60)54-44(59)26-43(58)39(25-33-13-7-5-8-14-33)53-48(61)41(22-32(3)4)51-29-35-16-11-15-34(23-35)27-49/h6,9-12,15-20,23,28,30-33,38-39,41,43,51,58H,5,7-8,13-14,21-22,24-27,29,49H2,1-4H3,(H,53,61)(H,54,59,60)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012923 (2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...) Show SMILES CC(C)CC(NCc1cccc(CN)c1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C48H63N9O4/c1-31(2)21-40-46-56-55-45(57(46)30-42(52-40)37-18-9-6-10-19-37)38(24-36-17-12-20-50-28-36)47(60)54-44(59)26-43(58)39(25-33-13-7-5-8-14-33)53-48(61)41(22-32(3)4)51-29-35-16-11-15-34(23-35)27-49/h6,9-12,15-20,23,28,30-33,38-39,41,43,51,58H,5,7-8,13-14,21-22,24-27,29,49H2,1-4H3,(H,53,61)(H,54,59,60)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012932 (4-(1-{1-Cyclohexylmethyl-2-hydroxy-4-[2-(8-isobuty...) Show SMILES CC(C)CC(NCCCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C44H60N8O6/c1-28(2)21-35-42-51-50-41(52(42)27-37(47-35)32-16-9-6-10-17-32)33(23-31-15-11-19-45-26-31)43(57)49-39(54)25-38(53)34(24-30-13-7-5-8-14-30)48-44(58)36(22-29(3)4)46-20-12-18-40(55)56/h6,9-11,15-17,19,26-30,33-34,36,38,46,53H,5,7-8,12-14,18,20-25H2,1-4H3,(H,48,58)(H,55,56)(H,49,54,57)/t33?,34-,36?,38-/m0/s1	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					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
Renin (Homo sapiens (Human))	BDBM50012925 (2-Amino-6-(1-{1-cyclohexylmethyl-2-hydroxy-4-[2-(8...) Show SMILES CC(C)CC(NCCCC[C@H](N)C(O)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C46H65N9O6/c1-29(2)22-37-43-54-53-42(55(43)28-39(50-37)33-17-9-6-10-18-33)34(24-32-16-13-20-48-27-32)44(58)52-41(57)26-40(56)36(25-31-14-7-5-8-15-31)51-45(59)38(23-30(3)4)49-21-12-11-19-35(47)46(60)61/h6,9-10,13,16-18,20,27-31,34-36,38,40,49,56H,5,7-8,11-12,14-15,19,21-26,47H2,1-4H3,(H,51,59)(H,60,61)(H,52,57,58)/t34?,35-,36-,38?,40-/m0/s1	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					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)	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)	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)	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
Renin (Homo sapiens (Human))	BDBM50012935 (CHEMBL431401 | N-(2-Cyclohexyl-1-cyclohexylmethyl-...) Show SMILES CCCc1nc(cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12)-c1cccnc1 Show InChI InChI=1S/C30H42N6O2/c1-2-10-24-30-35-34-27(36(30)20-26(32-24)23-15-9-16-31-19-23)18-28(37)33-25(17-21-11-5-3-6-12-21)29(38)22-13-7-4-8-14-22/h9,15-16,19-22,25,29,38H,2-8,10-14,17-18H2,1H3,(H,33,37)/t25-,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					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
Renin (Homo sapiens (Human))	BDBM50012933 (4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic ...) Show SMILES CC(C)CC(NCc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)Cc1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C40H54N8O4/c1-26(2)19-32-39-47-46-36(48(39)25-34(43-32)29-15-9-6-10-16-29)23-38(51)45-37(50)22-35(49)31(21-28-13-7-5-8-14-28)44-40(52)33(20-27(3)4)42-24-30-17-11-12-18-41-30/h6,9-12,15-18,25-28,31,33,35,42,49H,5,7-8,13-14,19-24H2,1-4H3,(H,44,52)(H,45,50,51)	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	63	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					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
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 (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
Renin (Homo sapiens (Human))	BDBM50012929 (2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...) Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NCc1cccc(CN)c1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C45H59N9O4/c1-28(2)18-36(50-45(58)38(20-30(5)6)48-26-32-13-10-12-31(21-32)24-46)40(55)23-41(56)51-44(57)35(22-33-14-11-17-47-25-33)42-52-53-43-37(19-29(3)4)49-39(27-54(42)43)34-15-8-7-9-16-34/h7-17,21,25,27-30,35-36,38,40,48,55H,18-20,22-24,26,46H2,1-6H3,(H,50,58)(H,51,56,57)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012929 (2-(3-Aminomethyl-benzylamino)-4-methyl-pentanoic a...) Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NCc1cccc(CN)c1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C45H59N9O4/c1-28(2)18-36(50-45(58)38(20-30(5)6)48-26-32-13-10-12-31(21-32)24-46)40(55)23-41(56)51-44(57)35(22-33-14-11-17-47-25-33)42-52-53-43-37(19-29(3)4)49-39(27-54(42)43)34-15-8-7-9-16-34/h7-17,21,25,27-30,35-36,38,40,48,55H,18-20,22-24,26,46H2,1-6H3,(H,50,58)(H,51,56,57)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					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
Renin (Homo sapiens (Human))	BDBM50012924 (CHEMBL78121 | N-(2-Cyclohexyl-1-cyclohexylmethyl-2...) Show SMILES CC(C)Cc1nc(cn2c(nnc12)C(Cc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)C(O)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C38H50N6O2/c1-26(2)21-33-37-43-42-36(44(37)25-34(40-33)29-16-8-4-9-17-29)31(22-28-15-12-20-39-24-28)38(46)41-32(23-27-13-6-3-7-14-27)35(45)30-18-10-5-11-19-30/h4,8-9,12,15-17,20,24-27,30-32,35,45H,3,5-7,10-11,13-14,18-19,21-23H2,1-2H3,(H,41,46)/t31?,32-,35?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012934 (CHEMBL307388 | N-(2-Cyclohexyl-1-cyclohexylmethyl-...) Show SMILES CC(C)Cc1nc(cn2c(nnc12)C(Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(O)C1CCCCC1)-c1ccccc1 Show InChI InChI=1S/C36H49N7O2/c1-24(2)18-31-35-42-41-34(43(35)22-32(39-31)26-14-8-4-9-15-26)29(20-28-21-37-23-38-28)36(45)40-30(19-25-12-6-3-7-13-25)33(44)27-16-10-5-11-17-27/h4,8-9,14-15,21-25,27,29-30,33,44H,3,5-7,10-13,16-20H2,1-2H3,(H,37,38)(H,40,45)/t29?,30-,33?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					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
Renin (Homo sapiens (Human))	BDBM50406416 (CHEMBL2114143) Show SMILES CC(C)Cc1nc(cn2c(CC(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C3CCCCC3)nnc12)-c1ccccc1 Show InChI InChI=1S/C32H45N5O2/c1-22(2)18-27-32-36-35-29(37(32)21-28(33-27)24-14-8-4-9-15-24)20-30(38)34-26(19-23-12-6-3-7-13-23)31(39)25-16-10-5-11-17-25/h4,8-9,14-15,21-23,25-26,31,39H,3,5-7,10-13,16-20H2,1-2H3,(H,34,38)/t26-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					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
Renin (Homo sapiens (Human))	BDBM50012927 (CHEMBL76896 | N-(2-Cyclohexyl-1-cyclohexylmethyl-2...) Show SMILES CCCc1nc(cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12)-c1ccccc1 Show InChI InChI=1S/C31H43N5O2/c1-2-12-25-31-35-34-28(36(31)21-27(32-25)23-15-8-4-9-16-23)20-29(37)33-26(19-22-13-6-3-7-14-22)30(38)24-17-10-5-11-18-24/h4,8-9,15-16,21-22,24,26,30,38H,2-3,5-7,10-14,17-20H2,1H3,(H,33,37)/t26-,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					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)	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)	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
Renin (Homo sapiens (Human))	BDBM50012926 (CHEMBL308335 | N-(2-Cyclohexyl-1-cyclohexylmethyl-...) Show SMILES CCCc1nc(C)cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(O)C3CCCCC3)nnc12 Show InChI InChI=1S/C26H41N5O2/c1-3-10-21-26-30-29-23(31(26)17-18(2)27-21)16-24(32)28-22(15-19-11-6-4-7-12-19)25(33)20-13-8-5-9-14-20/h17,19-20,22,25,33H,3-16H2,1-2H3,(H,28,32)/t22-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50406415 (CHEMBL2115170) Show SMILES CC(C)Cc1nc(cn2c(CC(=O)N[C@@H](CC3CCCCC3)[C@H](O)C3CCCCC3)nnc12)-c1ccccc1 Show InChI InChI=1S/C32H45N5O2/c1-22(2)18-27-32-36-35-29(37(32)21-28(33-27)24-14-8-4-9-15-24)20-30(38)34-26(19-23-12-6-3-7-13-23)31(39)25-16-10-5-11-17-25/h4,8-9,14-15,21-23,25-26,31,39H,3,5-7,10-13,16-20H2,1-2H3,(H,34,38)/t26-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012931 (CHEMBL73980 | N-(1-Cyclohexylmethyl-2-hydroxy-hexy...) Show SMILES CCCCC(O)[C@H](CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(C)cn12 Show InChI InChI=1S/C24H39N5O2/c1-4-6-13-21(30)20(14-18-11-8-7-9-12-18)26-23(31)15-22-27-28-24-19(10-5-2)25-17(3)16-29(22)24/h16,18,20-21,30H,4-15H2,1-3H3,(H,26,31)/t20-,21?/m0/s1	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen				J Med Chem 33: 2326-34 (1990) BindingDB Entry DOI: 10.7270/Q2H13105
					More data for this Ligand-Target Pair