Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 727.5 BDBM50494906

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))	BDBM50494906 (CHEMBL3098191) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccs1 |r| Show InChI InChI=1S/C27H31N5O13P2S/c1-12-14-8-42-27(36)17(14)19(33)13(22(12)41-2)5-6-43-46(37,38)11-47(39,40)44-9-15-20(34)21(35)26(45-15)32-10-29-18-23(28)30-24(31-25(18)32)16-4-3-7-48-16/h3-4,7,10,15,20-21,26,33-35H,5-6,8-9,11H2,1-2H3,(H,37,38)(H,39,40)(H2,28,30,31)/t15-,20-,21-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	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))	BDBM50494906 (CHEMBL3098191) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccs1 |r| Show InChI InChI=1S/C27H31N5O13P2S/c1-12-14-8-42-27(36)17(14)19(33)13(22(12)41-2)5-6-43-46(37,38)11-47(39,40)44-9-15-20(34)21(35)26(45-15)32-10-29-18-23(28)30-24(31-25(18)32)16-4-3-7-48-16/h3-4,7,10,15,20-21,26,33-35H,5-6,8-9,11H2,1-2H3,(H,37,38)(H,39,40)(H2,28,30,31)/t15-,20-,21-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	82	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