Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM347236'   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM347236 (US10202404, Compound C-8) Show SMILES CCN1CN(CCCOC)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2cccc(Cl)c2F)s1 Show InChI InChI=1S/C22H23ClFN5O4S/c1-3-28-12-27(8-5-9-33-2)22(32)18-20(31)19(30)14(11-29(18)28)21-26-25-16(34-21)10-13-6-4-7-15(23)17(13)24/h4,6-7,11,31H,3,5,8-10,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 μL/well). Two plates were made for measuring a...				US Patent US10202404 (2019) BindingDB Entry DOI: 10.7270/Q2WQ05WN
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