Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 673.4 BDBM50494930

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50494930 (CHEMBL3098177) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(cccc12)[N+]([O-])=O |r| Show InChI InChI=1S/C25H29N3O15P2/c1-12-14-8-40-25(32)18(14)20(29)13(23(12)39-2)6-7-41-44(35,36)11-45(37,38)42-9-17-21(30)22(31)24(43-17)27-10-26-19-15(27)4-3-5-16(19)28(33)34/h3-5,10,17,21-22,24,29-31H,6-9,11H2,1-2H3,(H,35,36)(H,37,38)/t17-,21-,22-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	749	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of IMPDH2 (unknown origin)				Bioorg Med Chem Lett 24: 332-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.005 BindingDB Entry DOI: 10.7270/Q2BP05RJ
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50494930 (CHEMBL3098177) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(cccc12)[N+]([O-])=O |r| Show InChI InChI=1S/C25H29N3O15P2/c1-12-14-8-40-25(32)18(14)20(29)13(23(12)39-2)6-7-41-44(35,36)11-45(37,38)42-9-17-21(30)22(31)24(43-17)27-10-26-19-15(27)4-3-5-16(19)28(33)34/h3-5,10,17,21-22,24,29-31H,6-9,11H2,1-2H3,(H,35,36)(H,37,38)/t17-,21-,22-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	876	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of IMPDH1 (unknown origin)				Bioorg Med Chem Lett 24: 332-6 (2014) Article DOI: 10.1016/j.bmcl.2013.11.005 BindingDB Entry DOI: 10.7270/Q2BP05RJ
					More data for this Ligand-Target Pair