Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.5 BDBM50494945

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))	BDBM50494945 (CHEMBL3098170) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC |r| Show InChI InChI=1S/C27H31NO8/c1-15(5-11-19-24(31)23-20(14-36-27(23)33)16(2)25(19)34-3)6-12-22(30)28-21(26(32)35-4)13-17-7-9-18(29)10-8-17/h5,7-10,21,29,31H,6,11-14H2,1-4H3,(H,28,30)/b15-5+/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	364	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))	BDBM50494945 (CHEMBL3098170) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC |r| Show InChI InChI=1S/C27H31NO8/c1-15(5-11-19-24(31)23-20(14-36-27(23)33)16(2)25(19)34-3)6-12-22(30)28-21(26(32)35-4)13-17-7-9-18(29)10-8-17/h5,7-10,21,29,31H,6,11-14H2,1-4H3,(H,28,30)/b15-5+/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.83E+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