BDBM50185589 (E)-2-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-methylbut-2-enylamino)ethylphosphonic acid::CHEMBL208921

SMILES: CCc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O

InChI Key: InChIKey=BFBLPUNSIFCKOX-UHFFFAOYSA-N

Data: 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50185589   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM50185589 ((E)-2-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dih...) Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O Show InChI InChI=1S/C18H26NO6P/c1-4-13-12(3)15-10-25-18(21)16(15)17(20)14(13)6-5-11(2)9-19-7-8-26(22,23)24/h5,19-20H,4,6-10H2,1-3H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc Curated by ChEMBL					Assay Description Inhibition of human IMPDH2				Bioorg Med Chem Lett 16: 3479-83 (2006) Article DOI: 10.1016/j.bmcl.2006.03.097 BindingDB Entry DOI: 10.7270/Q2HH6JP9
					More data for this Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) (Homo sapiens (Human))	BDBM50185589 ((E)-2-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dih...) Show SMILES CCc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CNCCP(O)(O)=O Show InChI InChI=1S/C18H26NO6P/c1-4-13-12(3)15-10-25-18(21)16(15)17(20)14(13)6-5-11(2)9-19-7-8-26(22,23)24/h5,19-20H,4,6-10H2,1-3H3,(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc Curated by ChEMBL					Assay Description Inhibition of human IMPDH1				Bioorg Med Chem Lett 16: 3479-83 (2006) Article DOI: 10.1016/j.bmcl.2006.03.097 BindingDB Entry DOI: 10.7270/Q2HH6JP9
					More data for this Ligand-Target Pair