Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Large envelope protein' and Ligand = 'BDBM576392'   

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
Large envelope protein (Hepatitis B virus)	BDBM576392 (N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...) Show SMILES Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@](=O)CC2CC2)C1 |r,wU:12.34,14.18,wD:10.11,24.27,(-4.5,4.71,;-3.17,5.48,;-3.17,7.02,;-1.83,7.79,;-.5,7.02,;.97,7.5,;1.87,6.25,;.97,5.01,;-.5,5.48,;-1.83,4.71,;3.41,6.25,;4.5,5.17,;5.59,6.25,;6.68,5.17,;7.77,6.25,;6.68,7.34,;9.31,6.25,;10.08,7.59,;9.31,8.92,;11.62,7.59,;12.52,6.34,;13.99,6.82,;13.99,8.36,;12.52,8.83,;15.23,9.26,;15.23,10.8,;16.57,8.49,;17.9,9.26,;18.53,10.67,;19.43,9.42,;4.5,7.34,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022112207	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W380KC
					More data for this Ligand-Target Pair