Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'craven' and Initial = 'ap'   

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)	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033185 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnn[nH]1)C(O)=O |TLB:39:38:33:12.13,14:13:33:38.40.41,47:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C35H46N4O11/c1-7-19(2)17-20(3)13-14-25(41)48-28-27(42)33(16-15-21(4)26(23(6)40)22(5)18-24-11-9-8-10-12-24)49-29(30-36-38-39-37-30)34(47,31(43)44)35(28,50-33)32(45)46/h8-14,19-20,22,26-29,42,47H,4,7,15-18H2,1-3,5-6H3,(H,43,44)(H,45,46)(H,36,37,38,39)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037286 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037285 ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-13,18-19,21,24-27,35-36,43H,4,6,14-17H2,1-3,5H3,(H,37,38)(H,39,40)(H,41,42)/b13-12+/t18-,19+,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033196 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(=O)OC)C(O)=O |TLB:39:38:33:12.13,46:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C36H48O13/c1-8-20(2)18-21(3)14-15-26(38)47-29-28(39)34(17-16-22(4)27(24(6)37)23(5)19-25-12-10-9-11-13-25)48-30(31(40)46-7)35(45,32(41)42)36(29,49-34)33(43)44/h9-15,20-21,23,27-30,39,45H,4,8,16-19H2,1-3,5-7H3,(H,41,42)(H,43,44)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037287 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H50O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-22,26-29,38,45H,7,13-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,21?,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037279 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-11,18-21,24-27,35-36,43H,6,12-17H2,1-5H3,(H,37,38)(H,39,40)(H,41,42)/t18-,19+,20?,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037279 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O13/c1-6-18(2)16-19(3)12-13-23(34)44-26-25(36)31(15-14-20(4)24(35)21(5)17-22-10-8-7-9-11-22)45-27(28(37)38)32(43,29(39)40)33(26,46-31)30(41)42/h7-11,18-21,24-27,35-36,43H,6,12-17H2,1-5H3,(H,37,38)(H,39,40)(H,41,42)/t18-,19+,20?,21-,24-,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033184 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnc(NC)o1)C(O)=O |TLB:14:13:33:38.40.41,39:38:33:12.13,49:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C37H49N3O12/c1-8-20(2)18-21(3)14-15-26(42)49-29-28(43)35(17-16-22(4)27(24(6)41)23(5)19-25-12-10-9-11-13-25)51-30(31-39-40-34(38-7)50-31)36(48,32(44)45)37(29,52-35)33(46)47/h9-15,20-21,23,27-30,43,48H,4,8,16-19H2,1-3,5-7H3,(H,38,40)(H,44,45)(H,46,47)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,35-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033199 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:39:38:33:12.13,45:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C35H46O13/c1-7-19(2)17-20(3)13-14-25(37)46-28-27(38)33(47-29(30(39)40)34(45,31(41)42)35(28,48-33)32(43)44)16-15-21(4)26(23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1	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
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037286 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037289 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,19-20,22,26-29,38,45H,4,7,13-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037291 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-11,19-22,25-27,35,42H,6,12-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/t19-,20+,21?,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037291 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-11,19-22,25-27,35,42H,6,12-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/t19-,20+,21?,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078544 (3-[(3R,3aS,8aS)-1-Benzenesulfonyl-3-(4-carbamimido...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C33H38N4O4S/c1-3-36(4-2)32(38)25-12-10-11-22(19-25)23-17-18-24-21-29-31(28(24)20-23)27(15-8-9-16-30(34)35)33(39)37(29)42(40,41)26-13-6-5-7-14-26/h5-7,10-14,17-20,27,29,31H,3-4,8-9,15-16,21H2,1-2H3,(H3,34,35)/t27-,29+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078554 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)N(C(=O)OC)C(=O)[C@@H]3CCCCC(N)=N Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)20-10-8-9-18(15-20)19-13-14-22-21(16-19)17-24-26(22)23(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,23-24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t23-,24+,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037290 ((1S,3S,4S,5R,6R,7R)-1-((E)-(4R,5S)-4-Acetoxy-3,5-d...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(C\C=C(/C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C35H48O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-12,15,19-20,22,26-29,38,45H,7,13-14,16-18H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/b21-15+/t19-,20+,22-,26-,27+,28+,29+,33-,34+,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033187 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1nnn[nH]1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,36:27:18:20.22| Show InChI InChI=1S/C25H30N4O10/c1-12(16(14(3)30)13(2)11-15-7-5-4-6-8-15)9-10-23-17(31)18(32)25(39-23,22(35)36)24(37,21(33)34)19(38-23)20-26-28-29-27-20/h4-8,13,16-19,31-32,37H,1,9-11H2,2-3H3,(H,33,34)(H,35,36)(H,26,27,28,29)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033181 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |TLB:23:22:18:27.29.30,31:29:18:20.22,THB:21:20:18:27.29.30,34:27:18:20.22,28:27:18:20.22| Show InChI InChI=1S/C25H30O12/c1-12(16(14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(37-23,22(33)34)24(35,21(31)32)19(36-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037280 ((1S,3S,4S,5R,6R,7R)-1-((4R,5S)-4-Acetoxy-5-methyl-...) Show SMILES C[C@@H](Cc1ccccc1)[C@@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17+,18+,19+,23-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50078554 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)N(C(=O)OC)C(=O)[C@@H]3CCCCC(N)=N Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)20-10-8-9-18(15-20)19-13-14-22-21(16-19)17-24-26(22)23(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,23-24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t23-,24+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037288 ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CC\C(C)=C\[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-13,17,19-20,22,25-27,35,42H,6,14-16,18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/b13-12+,21-17+/t19-,20+,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033192 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnn(C)n1)C(O)=O |TLB:39:38:33:12.13,14:13:33:38.40.41,48:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C36H48N4O11/c1-8-20(2)18-21(3)14-15-26(42)49-29-28(43)34(17-16-22(4)27(24(6)41)23(5)19-25-12-10-9-11-13-25)50-30(31-37-39-40(7)38-31)35(48,32(44)45)36(29,51-34)33(46)47/h9-15,20-21,23,27-30,43,48H,4,8,16-19H2,1-3,5-7H3,(H,44,45)(H,46,47)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078553 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OC)c2c1 Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)21-10-8-9-18(15-21)19-13-14-20-17-24-26(23(20)16-19)22(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,22,24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t22-,24+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033205 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nnnn1C)C(O)=O |TLB:39:38:33:12.13,14:13:33:38.40.41,48:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C36H48N4O11/c1-8-20(2)18-21(3)14-15-26(42)49-29-28(43)34(17-16-22(4)27(24(6)41)23(5)19-25-12-10-9-11-13-25)50-30(31-37-38-39-40(31)7)35(48,32(44)45)36(29,51-34)33(46)47/h9-15,20-21,23,27-30,43,48H,4,8,16-19H2,1-3,5-7H3,(H,44,45)(H,46,47)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,34-,35+,36-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033186 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1csc(N)n1)C(O)=O |TLB:39:38:33:12.13,48:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C37H48N2O11S/c1-7-20(2)17-21(3)13-14-27(41)48-31-29(42)35(16-15-22(4)28(24(6)40)23(5)18-25-11-9-8-10-12-25)49-30(26-19-51-34(38)39-26)36(47,32(43)44)37(31,50-35)33(45)46/h8-14,19-21,23,28-31,42,47H,4,7,15-18H2,1-3,5-6H3,(H2,38,39)(H,43,44)(H,45,46)/b14-13+/t20-,21+,23+,28+,29+,30+,31+,35-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037282 ((1S,3S,4S,5R,6R,7R)-6-((E)-(4S,6S)-4,6-Dimethyl-oc...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(C\C=C(/C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H44O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-14,19-20,22,25-27,35,42H,6,15-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/b13-12+,21-14+/t19-,20+,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50078544 (3-[(3R,3aS,8aS)-1-Benzenesulfonyl-3-(4-carbamimido...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C33H38N4O4S/c1-3-36(4-2)32(38)25-12-10-11-22(19-25)23-17-18-24-21-29-31(28(24)20-23)27(15-8-9-16-30(34)35)33(39)37(29)42(40,41)26-13-6-5-7-14-26/h5-7,10-14,17-20,27,29,31H,3-4,8-9,15-16,21H2,1-2H3,(H3,34,35)/t27-,29+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033200 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nc(C)no1)C(O)=O |TLB:39:38:33:12.13,48:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C37H48N2O12/c1-8-20(2)18-21(3)14-15-27(41)48-30-29(42)35(17-16-22(4)28(24(6)40)23(5)19-26-12-10-9-11-13-26)49-31(32-38-25(7)39-50-32)36(47,33(43)44)37(30,51-35)34(45)46/h9-15,20-21,23,28-31,42,47H,4,8,16-19H2,1-3,5-7H3,(H,43,44)(H,45,46)/b15-14+/t20-,21+,23+,28+,29+,30+,31+,35-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50078544 (3-[(3R,3aS,8aS)-1-Benzenesulfonyl-3-(4-carbamimido...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3S(=O)(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C33H38N4O4S/c1-3-36(4-2)32(38)25-12-10-11-22(19-25)23-17-18-24-21-29-31(28(24)20-23)27(15-8-9-16-30(34)35)33(39)37(29)42(40,41)26-13-6-5-7-14-26/h5-7,10-14,17-20,27,29,31H,3-4,8-9,15-16,21H2,1-2H3,(H3,34,35)/t27-,29+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of activated Coagulation factor X				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033190 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1cscn1)C(O)=O |TLB:39:38:33:12.13,47:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C37H47NO11S/c1-7-21(2)17-22(3)13-14-28(40)47-32-30(41)35(16-15-23(4)29(25(6)39)24(5)18-26-11-9-8-10-12-26)48-31(27-19-50-20-38-27)36(46,33(42)43)37(32,49-35)34(44)45/h8-14,19-22,24,29-32,41,46H,4,7,15-18H2,1-3,5-6H3,(H,42,43)(H,44,45)/b14-13+/t21-,22+,24+,29+,30+,31+,32+,35-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50078554 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-6-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)N(C(=O)OC)C(=O)[C@@H]3CCCCC(N)=N Show InChI InChI=1S/C29H36N4O4/c1-4-32(5-2)27(34)20-10-8-9-18(15-20)19-13-14-22-21(16-19)17-24-26(22)23(11-6-7-12-25(30)31)28(35)33(24)29(36)37-3/h8-10,13-16,23-24,26H,4-7,11-12,17H2,1-3H3,(H3,30,31)/t23-,24+,26-/m1/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of activated Coagulation factor X				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078552 ((3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-5-(3-diethy...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)OCCCc3ccccc3)c2c1 Show InChI InChI=1S/C37H44N4O4/c1-3-40(4-2)35(42)29-16-10-15-26(22-29)27-19-20-28-24-32-34(31(28)23-27)30(17-8-9-18-33(38)39)36(43)41(32)37(44)45-21-11-14-25-12-6-5-7-13-25/h5-7,10,12-13,15-16,19-20,22-23,30,32,34H,3-4,8-9,11,14,17-18,21,24H2,1-2H3,(H3,38,39)/t30-,32+,34+/m1/s1	PDB UniProtKB/SwissProt 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
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037284 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC(CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)[C@H](OC(C)=O)[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C25H32O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,12-13,16-19,27-28,35H,9-11H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t12?,13-,16-,17+,18+,19+,23-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033183 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1csc(NC)n1)C(O)=O |TLB:14:13:33:38.40.41,39:38:33:12.13,49:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C38H50N2O11S/c1-8-21(2)18-22(3)14-15-28(42)49-32-30(43)36(17-16-23(4)29(25(6)41)24(5)19-26-12-10-9-11-13-26)50-31(27-20-52-35(39-7)40-27)37(48,33(44)45)38(32,51-36)34(46)47/h9-15,20-22,24,29-32,43,48H,4,8,16-19H2,1-3,5-7H3,(H,39,40)(H,44,45)(H,46,47)/b15-14+/t21-,22+,24+,29+,30+,31+,32+,36-,37+,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033193 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CNc1nnc(o1)[C@H]1O[C@@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:5:7:27:29.31,32:31:27:36.7.8,THB:37:36:27:29.31,30:29:27:36.7.8,38:36:27:29.31| Show InChI InChI=1S/C27H33N3O11/c1-13(17(15(3)31)14(2)12-16-8-6-5-7-9-16)10-11-25-18(32)19(33)27(41-25,23(36)37)26(38,22(34)35)20(40-25)21-29-30-24(28-4)39-21/h5-9,14,17-20,32-33,38H,1,10-12H2,2-4H3,(H,28,30)(H,34,35)(H,36,37)/t14-,17-,18-,19-,20-,25+,26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033195 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1nnn(C)n1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22| Show InChI InChI=1S/C26H32N4O10/c1-13(17(15(3)31)14(2)12-16-8-6-5-7-9-16)10-11-24-18(32)19(33)26(40-24,23(36)37)25(38,22(34)35)20(39-24)21-27-29-30(4)28-21/h5-9,14,17-20,32-33,38H,1,10-12H2,2-4H3,(H,34,35)(H,36,37)/t14-,17-,18-,19-,20-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033182 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1n[nH]c(=S)n1C)C(O)=O |TLB:14:13:33:38.40.41,39:38:33:12.13,49:38:33:12.13,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C37H49N3O11S/c1-8-20(2)18-21(3)14-15-26(42)49-29-28(43)35(17-16-22(4)27(24(6)41)23(5)19-25-12-10-9-11-13-25)50-30(31-38-39-34(52)40(31)7)36(48,32(44)45)37(29,51-35)33(46)47/h9-15,20-21,23,27-30,43,48H,4,8,16-19H2,1-3,5-7H3,(H,39,52)(H,44,45)(H,46,47)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,35-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037283 ((1S,3S,4S,5R,6R,7R)-1-((E)-(S)-3,5-Dimethyl-6-phen...) Show SMILES C[C@@H](Cc1ccccc1)\C=C(/C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C23H28O11/c1-12(10-13(2)11-14-6-4-3-5-7-14)8-9-21-15(24)16(25)23(34-21,20(30)31)22(32,19(28)29)17(33-21)18(26)27/h3-7,10,13,15-17,24-25,32H,8-9,11H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b12-10+/t13-,15-,16-,17-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037281 ((1S,3S,4S,5R,6R,7R)-1-((R)-3,5-Dimethyl-6-phenyl-h...) Show SMILES CC(CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)C[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C23H30O11/c1-12(10-13(2)11-14-6-4-3-5-7-14)8-9-21-15(24)16(25)23(34-21,20(30)31)22(32,19(28)29)17(33-21)18(26)27/h3-7,12-13,15-17,24-25,32H,8-11H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t12?,13-,15-,16-,17-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037284 ((1S,3S,4S,5R,6R,7R)-1-((4S,5S)-4-Acetoxy-3,5-dimet...) Show SMILES CC(CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O)[C@H](OC(C)=O)[C@@H](C)Cc1ccccc1 Show InChI InChI=1S/C25H32O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,12-13,16-19,27-28,35H,9-11H2,1-3H3,(H,29,30)(H,31,32)(H,33,34)/t12?,13-,16-,17+,18+,19+,23-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037283 ((1S,3S,4S,5R,6R,7R)-1-((E)-(S)-3,5-Dimethyl-6-phen...) Show SMILES C[C@@H](Cc1ccccc1)\C=C(/C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C23H28O11/c1-12(10-13(2)11-14-6-4-3-5-7-14)8-9-21-15(24)16(25)23(34-21,20(30)31)22(32,19(28)29)17(33-21)18(26)27/h3-7,10,13,15-17,24-25,32H,8-9,11H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b12-10+/t13-,15-,16-,17-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033197 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES COC(=O)[C@H]1O[C@@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:29:28:24:33.4.5,2:4:24:26.28,THB:27:26:24:33.4.5,35:33:24:26.28,34:33:24:26.28| Show InChI InChI=1S/C26H32O12/c1-13(17(15(3)27)14(2)12-16-8-6-5-7-9-16)10-11-24-18(28)19(29)26(38-24,23(33)34)25(35,22(31)32)20(37-24)21(30)36-4/h5-9,14,17-20,28-29,35H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)/t14-,17-,18-,19-,20-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50037292 ((1S,3S,4S,5R,6R,7R)-4,6,7-Trihydroxy-1-((4R,5S)-4-...) Show SMILES C[C@@H](Cc1ccccc1)[C@@H](O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C23H28O12/c1-11(14(24)12(2)10-13-6-4-3-5-7-13)8-9-21-15(25)16(26)23(35-21,20(31)32)22(33,19(29)30)17(34-21)18(27)28/h3-7,12,14-17,24-26,33H,1,8-10H2,2H3,(H,27,28)(H,29,30)(H,31,32)/t12-,14-,15+,16+,17+,21-,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033194 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1nc(C)no1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22| Show InChI InChI=1S/C27H32N2O11/c1-13(18(15(3)30)14(2)12-17-8-6-5-7-9-17)10-11-25-19(31)20(32)27(40-25,24(35)36)26(37,23(33)34)21(38-25)22-28-16(4)29-39-22/h5-9,14,18-21,31-32,37H,1,10-12H2,2-4H3,(H,33,34)(H,35,36)/t14-,18-,19-,20-,21-,25+,26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033198 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1nnc(C)[nH]1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22| Show InChI InChI=1S/C27H33N3O10/c1-13(18(15(3)31)14(2)12-17-8-6-5-7-9-17)10-11-25-19(32)20(33)27(40-25,24(36)37)26(38,23(34)35)21(39-25)22-28-16(4)29-30-22/h5-9,14,18-21,32-33,38H,1,10-12H2,2-4H3,(H,34,35)(H,36,37)(H,28,29,30)/t14-,18-,19-,20-,21-,25+,26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50033204 ((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1csc(C)n1)C(O)=O |TLB:39:38:33:12.13,48:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41| Show InChI InChI=1S/C38H49NO11S/c1-8-21(2)18-22(3)14-15-29(41)48-33-31(42)36(17-16-23(4)30(25(6)40)24(5)19-27-12-10-9-11-13-27)49-32(28-20-51-26(7)39-28)37(47,34(43)44)38(33,50-36)35(45)46/h9-15,20-22,24,30-33,42,47H,4,8,16-19H2,1-3,5-7H3,(H,43,44)(H,45,46)/b15-14+/t21-,22+,24+,30+,31+,32+,33+,36-,37+,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description In vitro for inhibitory activity against Squalene synthase in rat				J Med Chem 38: 3502-13 (1995) BindingDB Entry DOI: 10.7270/Q2M61J99
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50078556 (3-[(3R,3aS,8aS)-3-(4-Carbamimidoyl-butyl)-2-oxo-1-...) Show SMILES CCN(CC)C(=O)c1cccc(c1)-c1ccc2C[C@H]3[C@@H]([C@@H](CCCCC(N)=N)C(=O)N3C(=O)CC)c2c1 Show InChI InChI=1S/C30H38N4O3/c1-4-27(35)34-25-18-21-15-14-20(19-10-9-11-22(16-19)29(36)33(5-2)6-3)17-24(21)28(25)23(30(34)37)12-7-8-13-26(31)32/h9-11,14-17,23,25,28H,4-8,12-13,18H2,1-3H3,(H3,31,32)/t23-,25+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 9: 1657-62 (1999) BindingDB Entry DOI: 10.7270/Q2VT1R8Q
					More data for this Ligand-Target Pair

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