Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.4 BDBM50494932

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))	BDBM50494932 (CHEMBL3098172) Show SMILES COC(=O)[C@H](CO)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC |r| Show InChI InChI=1S/C21H27NO8/c1-11(6-8-16(24)22-15(9-23)20(26)29-4)5-7-13-18(25)17-14(10-30-21(17)27)12(2)19(13)28-3/h5,15,23,25H,6-10H2,1-4H3,(H,22,24)/b11-5+/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	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))	BDBM50494932 (CHEMBL3098172) Show SMILES COC(=O)[C@H](CO)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC |r| Show InChI InChI=1S/C21H27NO8/c1-11(6-8-16(24)22-15(9-23)20(26)29-4)5-7-13-18(25)17-14(10-30-21(17)27)12(2)19(13)28-3/h5,15,23,25H,6-10H2,1-4H3,(H,22,24)/b11-5+/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.02E+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