Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein phosphatase PP1-gamma catalytic subunit' and Ligand = 'BDBM50375612'   

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-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375612 (CHEMBL427915) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N\OCC(=O)NCCNC(=O)c3ccc(F)c(c3)N=[N+]=[N-])O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C Show InChI InChI=1S/C52H79FN6O16/c1-27(2)46(73-44(65)25-40(62)45(51(69)70)33(8)50(67)68)48(71-10)41(63)24-39(61)32(7)38(60)15-11-30(5)47-31(6)18-20-52(75-47)19-17-29(4)42(74-52)16-12-28(3)34(9)58-72-26-43(64)55-21-22-56-49(66)35-13-14-36(53)37(23-35)57-59-54/h13-14,23,27-32,38,40-42,46-48,60,62-63H,11-12,15-22,24-26H2,1-10H3,(H,55,64)(H,56,66)(H,67,68)(H,69,70)/b45-33-,58-34+/t28-,29+,30+,31-,32-,38-,40+,41+,42-,46+,47-,48-,52+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
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