BindingDB PrimarySearch

BDBM19265 C2-Mycophenolic Adenine Dinucleotide (C2-MDA)::CHEMBL410744::[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl][2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphinic acid

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)ncnc12

InChI Key: InChIKey=AMYUZLUBFKOUEX-JKWAKEATSA-N

Data: 8 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 19265
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Inosine-5'-monophosphate dehydrogenase (IMPDH) (Homo sapiens (Human))	BDBM19265 (C2-Mycophenolic Adenine Dinucleotide (C2-MDA) \| CH...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	250	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
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM19265 (C2-Mycophenolic Adenine Dinucleotide (C2-MDA) \| CH...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	250	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 human IMPDH2 by Spectrophotometer				Bioorg Med Chem 19: 1594-605 (2011) Article DOI: 10.1016/j.bmc.2011.01.042 BindingDB Entry DOI: 10.7270/Q21G0MKT
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM19265 (C2-Mycophenolic Adenine Dinucleotide (C2-MDA) \| CH...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	250	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 human IMP dehydrogenase 2				Bioorg Med Chem 16: 7462-9 (2008) Article DOI: 10.1016/j.bmc.2008.06.003 BindingDB Entry DOI: 10.7270/Q25D8RPD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM19265 (C2-Mycophenolic Adenine Dinucleotide (C2-MDA) \| CH...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	250	-9.00	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Minnesota at Twin Citiies					Assay Description Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 2 (33 and 66 nM) and varying concentrations of i...				J Med Chem 50: 5743-5751 (2007) Article DOI: 10.1021/jm070568j BindingDB Entry DOI: 10.7270/Q2RX99CT
University of Minnesota at Twin Citiies					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol synthase (Homo sapiens (Human))	BDBM19265 (C2-Mycophenolic Adenine Dinucleotide (C2-MDA) \| CH...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	300	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
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) (Homo sapiens (Human))	BDBM19265 (C2-Mycophenolic Adenine Dinucleotide (C2-MDA) \| CH...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	330	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 human IMPDH1 by Spectrophotometry				Bioorg Med Chem 19: 1594-605 (2011) Article DOI: 10.1016/j.bmc.2011.01.042 BindingDB Entry DOI: 10.7270/Q21G0MKT
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) (Homo sapiens (Human))	BDBM19265 (C2-Mycophenolic Adenine Dinucleotide (C2-MDA) \| CH...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	330	-8.84	n/a	n/a	n/a	n/a	n/a	8.0	25
University of Minnesota at Twin Citiies					Assay Description Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of ...				J Med Chem 50: 5743-5751 (2007) Article DOI: 10.1021/jm070568j BindingDB Entry DOI: 10.7270/Q2RX99CT
University of Minnesota at Twin Citiies					More data for this Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 1 (IMPDH1) (Homo sapiens (Human))	BDBM19265 (C2-Mycophenolic Adenine Dinucleotide (C2-MDA) \| CH...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	330	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 human IMP dehydrogenase 1				Bioorg Med Chem 16: 7462-9 (2008) Article DOI: 10.1016/j.bmc.2008.06.003 BindingDB Entry DOI: 10.7270/Q25D8RPD
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair