Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity tyrosine-phosphorylation-regulated kinase 1A' and Ligand = 'BDBM643594'   

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM643594 (US20240002391, Compound 725) Show SMILES COc1nc(N[C@H]2CC[C@](C)(O)CC2)nn2ccc(-c3ccc(N=N)c(NCC(F)F)c3)c12 |r,wU:9.10,wD:6.5,9.9,(-.08,.02,;-1.41,-.77,;-1.4,-2.31,;-.04,-3.19,;-.04,-4.73,;1.29,-5.5,;2.63,-4.73,;3.96,-5.5,;5.3,-4.73,;5.3,-3.19,;5.3,-1.65,;6.63,-2.42,;3.96,-2.42,;2.63,-3.19,;-1.37,-5.5,;-2.71,-4.73,;-4.17,-5.21,;-5.08,-3.96,;-4.17,-2.72,;-4.65,-1.25,;-6.15,-.93,;-6.63,.53,;-5.6,1.68,;-6.07,3.14,;-5.04,4.29,;-4.09,1.36,;-3.32,2.69,;-1.79,2.85,;-1.16,4.26,;-2.07,5.5,;.37,4.42,;-3.62,-.11,;-2.71,-3.19,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
TBA									Citation and Details
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