Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 859.0 BDBM50496362

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50496362 (CHEMBL3126461) 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)c4ccccc4C(O)=O)[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C53H62O10/c1-48(2)25-27-53(47(60)61-31-32-15-9-8-10-16-32)28-26-51(6)37(38(53)29-48)21-22-41-50(5)30-39(62-45(58)35-19-13-11-17-33(35)43(54)55)42(49(3,4)40(50)23-24-52(41,51)7)63-46(59)36-20-14-12-18-34(36)44(56)57/h8-21,38-42H,22-31H2,1-7H3,(H,54,55)(H,56,57)/t38-,39+,40-,41+,42-,50-,51+,52+,53-/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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