Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50496366'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50496366 (CHEMBL3126468) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)CCC(O)=O)[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15| Show InChI InChI=1S/C38H56O10/c1-33(2)16-18-38(32(45)46)19-17-36(6)22(23(38)20-33)8-9-26-35(5)21-24(47-29(43)12-10-27(39)40)31(48-30(44)13-11-28(41)42)34(3,4)25(35)14-15-37(26,36)7/h8,23-26,31H,9-21H2,1-7H3,(H,39,40)(H,41,42)(H,45,46)/t23-,24+,25-,26+,31-,35-,36+,37+,38-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay				Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N
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