Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein Nef' and Ligand = 'BDBM288068'   

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...)	BDBM288068 (N-(3-chloro-2-fluorobenzyl)- trans-3-ethoxy-9'-hyd...) Show SMILES CCO[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F |r,wU:5.4,3.2,(8,-3.78,;6.67,-4.55,;5.33,-3.78,;5.33,-2.24,;4.25,-1.16,;5.33,-.07,;6.42,-1.16,;6.67,.7,;6.67,2.24,;8,3.01,;5.33,3.01,;5.33,4.55,;4,2.24,;2.67,3.01,;2.67,4.55,;1.33,2.24,;,3.01,;1.33,.7,;2.67,-.07,;4,.7,;,-.07,;,-1.61,;-1.33,.7,;-2.67,-.07,;-4,.7,;-4,2.24,;-5.33,3.01,;-6.67,2.24,;-6.67,.7,;-8,-.07,;-5.33,-.07,;-5.33,-1.61,)| Show InChI InChI=1S/C22H23ClFN3O5/c1-3-32-13-7-22(8-13)11-26(2)21(31)17-19(29)18(28)14(10-27(17)22)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13-,22-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.60	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
					More data for this Ligand-Target Pair