Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein Nef' and Ligand = 'BDBM288129'   

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
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288129 (7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...) Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.5,wD:3.2,(8,-6.48,;6.67,-7.25,;5.33,-6.48,;5.33,-4.94,;6.42,-3.85,;5.33,-2.76,;4.25,-3.85,;6.67,-1.99,;6.67,-.45,;8,.32,;5.33,.32,;5.33,1.86,;4,-.45,;2.67,.32,;2.67,1.86,;1.33,2.63,;,1.86,;1.33,4.17,;2.67,4.94,;2.67,6.48,;1.33,7.25,;,6.48,;,4.94,;1.33,-.45,;,.32,;1.33,-1.99,;2.67,-2.76,;4,-1.99,;,-2.76,;,-4.3,;-1.33,-1.99,;-2.67,-2.76,;-4,-1.99,;-4,-.45,;-5.33,.32,;-6.67,-.45,;-6.67,-1.99,;-8,-2.76,;-5.33,-2.76,;-5.33,-4.3,)| Show InChI InChI=1S/C29H27ClFN3O6/c1-33-16-29(11-17(12-29)15-39-2)34-14-20(26(36)32-13-19-9-6-10-21(30)22(19)31)24(35)25(23(34)27(33)37)40-28(38)18-7-4-3-5-8-18/h3-10,14,17H,11-13,15-16H2,1-2H3,(H,32,36)/t17-,29+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
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