Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.3 BDBM50493141

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))	BDBM50493141 (CHEMBL2418586) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H]1CO1 |r| Show InChI InChI=1S/C19H23NO6/c1-10(5-7-14(21)20-15-9-25-15)4-6-12-17(22)16-13(8-26-19(16)23)11(2)18(12)24-3/h4,15,22H,5-9H2,1-3H3,(H,20,21)/b10-4+/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				Bioorg Med Chem Lett 23: 5140-4 (2013) Article DOI: 10.1016/j.bmcl.2013.07.016 BindingDB Entry DOI: 10.7270/Q2MW2M28
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50493141 (CHEMBL2418586) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H]1CO1 |r| Show InChI InChI=1S/C19H23NO6/c1-10(5-7-14(21)20-15-9-25-15)4-6-12-17(22)16-13(8-26-19(16)23)11(2)18(12)24-3/h4,15,22H,5-9H2,1-3H3,(H,20,21)/b10-4+/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem Lett 23: 5140-4 (2013) Article DOI: 10.1016/j.bmcl.2013.07.016 BindingDB Entry DOI: 10.7270/Q2MW2M28
					More data for this Ligand-Target Pair