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 = 'BDBM643323'   

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))	BDBM643323 (US20240002391, Compound 53) Show SMILES COc1nc(N[C@@H]2CC[C@@H](CC2)NC(C)=O)nn2ccc(-c3ccc4nccn4c3)c12 |r,wD:6.5,9.12,(-1.55,.73,;-2.88,-.04,;-2.88,-1.58,;-1.55,-2.35,;-1.55,-3.89,;-.22,-4.66,;1.12,-3.89,;1.12,-2.35,;2.45,-1.58,;3.79,-2.35,;3.79,-3.89,;2.45,-4.66,;5.12,-1.58,;6.45,-2.35,;7.79,-1.58,;6.45,-3.89,;-2.88,-4.66,;-4.22,-3.89,;-5.68,-4.37,;-6.59,-3.12,;-5.68,-1.87,;-6,-.37,;-7.47,.11,;-7.79,1.61,;-6.64,2.64,;-6.64,4.18,;-5.18,4.66,;-4.27,3.41,;-5.18,2.17,;-4.86,.66,;-4.22,-2.35,)| 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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