Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein phosphatase PP1-alpha catalytic subunit' and Ligand = 'BDBM42221'   

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
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit (Homo sapiens (Human))	BDBM42221 (2-({4-[3-(4-hydroxyphenyl)acryloyl]phenyl}amino)-3...) Show SMILES Oc1ccc(C=CC(=O)c2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 |w:6.6,c:14| Show InChI InChI=1S/C30H26N2O4/c33-23-15-8-20(9-16-23)10-17-26(34)21-11-13-22(14-12-21)31-27-28(32-18-4-1-5-19-32)30(36)25-7-3-2-6-24(25)29(27)35/h2-3,6-17,31,33H,1,4-5,18-19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27M06CD
					More data for this Ligand-Target Pair