Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 724.3 BDBM50494913

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
Lanosterol synthase (Homo sapiens (Human))	BDBM50494913 (CHEMBL3098179) 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)n1c(Br)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C23H28BrN5O13P2/c1-9-11-5-39-22(33)13(11)15(30)10(18(9)38-2)3-4-40-43(34,35)8-44(36,37)41-6-12-16(31)17(32)21(42-12)29-20-14(28-23(29)24)19(25)26-7-27-20/h7,12,16-17,21,30-32H,3-6,8H2,1-2H3,(H,34,35)(H,36,37)(H2,25,26,27)/t12-,16-,17-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	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
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50494913 (CHEMBL3098179) 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)n1c(Br)nc2c(N)ncnc12 |r| Show InChI InChI=1S/C23H28BrN5O13P2/c1-9-11-5-39-22(33)13(11)15(30)10(18(9)38-2)3-4-40-43(34,35)8-44(36,37)41-6-12-16(31)17(32)21(42-12)29-20-14(28-23(29)24)19(25)26-7-27-20/h7,12,16-17,21,30-32H,3-6,8H2,1-2H3,(H,34,35)(H,36,37)(H2,25,26,27)/t12-,16-,17-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	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