Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 467.5 BDBM50494935

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))	BDBM50494935 (CHEMBL2437255) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H29NO7/c1-15(10-12-21(28)27-20(25(30)31)13-17-7-5-4-6-8-17)9-11-18-23(29)22-19(14-34-26(22)32)16(2)24(18)33-3/h4-9,20,29H,10-14H2,1-3H3,(H,27,28)(H,30,31)/b15-9+/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.67E+3	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))	BDBM50494935 (CHEMBL2437255) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H29NO7/c1-15(10-12-21(28)27-20(25(30)31)13-17-7-5-4-6-8-17)9-11-18-23(29)22-19(14-34-26(22)32)16(2)24(18)33-3/h4-9,20,29H,10-14H2,1-3H3,(H,27,28)(H,30,31)/b15-9+/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.31E+3	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