Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM648780'   

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
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM648780 (US20240034729, Compound 172) Show SMILES COC(=O)N1CCO[C@@H](Cc2c(nc3cc(Cl)ccn23)-c2c(F)cc(cc2F)S(N)(=O)=O)C1 |r,wU:8.8,(-.22,-6.19,;-.7,-4.73,;-2.2,-4.41,;-3.23,-5.55,;-2.68,-2.94,;-4.19,-2.62,;-4.66,-1.16,;-3.63,-.01,;-2.12,-.33,;-1.09,.81,;-1.57,2.28,;-.66,3.52,;-1.57,4.77,;-3.03,4.29,;-4.37,5.06,;-5.7,4.29,;-7.04,5.06,;-5.7,2.75,;-4.37,1.98,;-3.03,2.75,;.88,3.52,;1.65,4.86,;.88,6.19,;3.19,4.86,;3.96,3.52,;3.19,2.19,;1.65,2.19,;.88,.86,;5.5,3.52,;7.04,3.52,;5.5,5.06,;5.5,1.98,;-1.65,-1.8,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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