Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.5 BDBM50494915

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))	BDBM50494915 (CHEMBL3098164) Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC |r| Show InChI InChI=1S/C29H32N2O7/c1-16(9-11-20-26(33)25-21(15-38-29(25)35)17(2)27(20)36-3)10-12-24(32)31-23(28(34)37-4)13-18-14-30-22-8-6-5-7-19(18)22/h5-9,14,23,30,33H,10-13,15H2,1-4H3,(H,31,32)/b16-9+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	233	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))	BDBM50494915 (CHEMBL3098164) Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC |r| Show InChI InChI=1S/C29H32N2O7/c1-16(9-11-20-26(33)25-21(15-38-29(25)35)17(2)27(20)36-3)10-12-24(32)31-23(28(34)37-4)13-18-14-30-22-8-6-5-7-19(18)22/h5-9,14,23,30,33H,10-13,15H2,1-4H3,(H,31,32)/b16-9+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	733	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