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 = 'BDBM643695'   

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))	BDBM643695 (US20240002391, Compound 1099) Show SMILES COc1nc(N[C@H]2C[C@]3(CCN3CC(F)F)C2)nn2ccc(-c3ccc4nccnc4c3)c12 |r,wD:6.5,8.11,(-2.78,1.77,;-1.44,1,;-1.44,-.54,;-.11,-1.31,;-.11,-2.85,;1.22,-3.62,;2.56,-2.85,;4.04,-3.25,;4.44,-1.77,;4.84,-.28,;6.33,-.68,;5.93,-2.16,;6.7,-3.5,;5.93,-4.83,;4.39,-4.83,;6.7,-6.16,;2.96,-1.37,;-1.44,-3.62,;-2.78,-2.85,;-4.24,-3.33,;-5.15,-2.08,;-4.24,-.84,;-4.72,.63,;-6.22,.95,;-6.7,2.41,;-5.67,3.56,;-6.15,5.02,;-5.12,6.16,;-3.61,5.84,;-3.13,4.38,;-4.16,3.24,;-3.69,1.77,;-2.78,-1.31,)| 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	0.700	n/a	n/a	n/a	n/a
TBA									Citation and Details
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