Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase' and Ligand = 'BDBM50598847'   

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
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50598847 (CHEMBL5200849) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)N1CCOCC1 |(4,-2.98,;4.3,-1.78,;5.77,-1.35,;6.14,.15,;5.02,1.21,;5.32,2.41,;3.55,.78,;2.65,1.63,;3.19,-.72,;1.68,-1.04,;1.05,-2.45,;1.67,-3.52,;-.48,-2.29,;-1.51,-3.43,;-2.71,-3.18,;-1.12,-4.61,;-.8,-.78,;-2.13,-.01,;-2.13,1.53,;-.8,2.3,;.53,1.53,;.53,-.01,;-3.47,2.3,;-4.8,1.53,;-6.14,2.29,;-6.14,3.83,;-4.81,4.61,;-3.47,3.84,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ
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