null

SMILES: CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(=O)OC)[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

InChI Key: InChIKey=JIFNYYBTAGNTED-GMSBFNSGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50281107   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Squalene synthase (Rattus norvegicus)	BDBM50281107 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(=O)OC)[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/C37H48O16/c1-8-20(2)18-21(3)14-15-26(39)50-29-28(51-34(46)48-7)35(52-30(31(40)41)36(47,32(42)43)37(29,53-35)33(44)45)17-16-22(4)27(49-24(6)38)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,47H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)(H,44,45)/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	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat liver squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281107 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(=O)OC)[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/C37H48O16/c1-8-20(2)18-21(3)14-15-26(39)50-29-28(51-34(46)48-7)35(52-30(31(40)41)36(47,32(42)43)37(29,53-35)33(44)45)17-16-22(4)27(49-24(6)38)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,47H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)(H,44,45)/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	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration against squalene synthase from male rat liver microsomes				Bioorg Med Chem Lett 4: 661-666 (1994) Article DOI: 10.1016/S0960-894X(01)80175-X BindingDB Entry DOI: 10.7270/Q22B8XZF
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50281107 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(=O)OC)[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/C37H48O16/c1-8-20(2)18-21(3)14-15-26(39)50-29-28(51-34(46)48-7)35(52-30(31(40)41)36(47,32(42)43)37(29,53-35)33(44)45)17-16-22(4)27(49-24(6)38)23(5)19-25-12-10-9-11-13-25/h9-15,20-21,23,27-30,47H,4,8,16-19H2,1-3,5-7H3,(H,40,41)(H,42,43)(H,44,45)/b15-14+/t20-,21+,23+,27+,28+,29+,30+,35-,36+,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Candida albicans squalene synthase(SQS)				Bioorg Med Chem Lett 3: 2605-2610 (1993) Article DOI: 10.1016/S0960-894X(01)80724-1 BindingDB Entry DOI: 10.7270/Q20P0ZZN
					More data for this Ligand-Target Pair