Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Palmitoleoyl-protein carboxylesterase NOTUM' and Ligand = 'BDBM10847'   

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
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	7.00E+6	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity was determined against beta-1 adrenergic receptor in spontaneously beating rat atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair				3D Structure (crystal)
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	6.80E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01974 BindingDB Entry DOI: 10.7270/Q2NP28F9
					More data for this Ligand-Target Pair				3D Structure (crystal)