Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 625.6 BDBM50494923

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))	BDBM50494923 (CHEMBL3098185) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NCC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C29H35N7O9/c1-13(4-6-15-22(39)20-16(10-44-29(20)42)14(2)25(15)43-3)5-7-18(37)32-9-19(38)31-8-17-23(40)24(41)28(45-17)36-12-35-21-26(30)33-11-34-27(21)36/h4,11-12,17,23-24,28,39-41H,5-10H2,1-3H3,(H,31,38)(H,32,37)(H2,30,33,34)/b13-4+/t17-,23-,24-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	188	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))	BDBM50494923 (CHEMBL3098185) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NCC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C29H35N7O9/c1-13(4-6-15-22(39)20-16(10-44-29(20)42)14(2)25(15)43-3)5-7-18(37)32-9-19(38)31-8-17-23(40)24(41)28(45-17)36-12-35-21-26(30)33-11-34-27(21)36/h4,11-12,17,23-24,28,39-41H,5-10H2,1-3H3,(H,31,38)(H,32,37)(H2,30,33,34)/b13-4+/t17-,23-,24-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	259	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