Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 752.1 BDBM50509288

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))	BDBM50509288 (CHEMBL4586500) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCCCCC(O)=O |r,t:15| Show InChI InChI=1S/C48H81NO5/c1-9-10-11-12-13-14-15-16-19-22-41(52)54-39-26-27-45(6)37(44(39,4)5)25-28-47(8)38(45)24-23-35-36-34-43(2,3)29-31-48(36,32-30-46(35,47)7)42(53)49-33-20-17-18-21-40(50)51/h23,36-39H,9-22,24-34H2,1-8H3,(H,49,53)(H,50,51)/t36-,37-,38+,39-,45-,46+,47+,48-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 peptide as substrate by FRET assay				J Nat Prod 82: 2886-2896 (2019) Article DOI: 10.1021/acs.jnatprod.9b00649 BindingDB Entry DOI: 10.7270/Q2VD72S9
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