Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM648785'   

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))	BDBM648785 (US20240034729, Compound 177) Show SMILES COC(=O)N1CCO[C@@H](Cc2c(nc3cc(C)ccn23)-c2c(F)cc(cc2Cl)S(N)(=O)=O)C1 |r,wU:8.8,(-3.24,-6.57,;-3.64,-5.08,;-2.55,-3.99,;-1.06,-4.39,;-2.95,-2.5,;-4.44,-2.1,;-4.84,-.62,;-3.75,.47,;-2.26,.08,;-1.17,1.16,;-1.57,2.65,;-.66,3.9,;-1.57,5.14,;-3.03,4.67,;-4.37,5.44,;-5.7,4.67,;-7.04,5.44,;-5.7,3.13,;-4.37,2.36,;-3.03,3.13,;.88,3.9,;1.65,2.56,;.88,1.23,;3.19,2.56,;3.96,3.9,;3.19,5.23,;1.65,5.23,;.88,6.57,;5.5,3.9,;7.04,3.9,;5.5,2.36,;5.5,5.44,;-1.86,-1.41,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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