Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50496360'   

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))	BDBM50496360 (CHEMBL3126453) 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)CCCC(O)=O)[C@H](OC(=O)CCCC(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C47H66O10/c1-42(2)23-25-47(41(54)55-29-30-13-9-8-10-14-30)26-24-45(6)31(32(47)27-42)19-20-35-44(5)28-33(56-38(52)17-11-15-36(48)49)40(57-39(53)18-12-16-37(50)51)43(3,4)34(44)21-22-46(35,45)7/h8-10,13-14,19,32-35,40H,11-12,15-18,20-29H2,1-7H3,(H,48,49)(H,50,51)/t32-,33+,34-,35+,40-,44-,45+,46+,47-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+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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