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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50485190'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50485190
PNG
(CHEMBL2035870)
Show SMILES [H][C@]12OC([C@@H](N)CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r|
Show InChI InChI=1S/C18H31N3O8/c1-7(2)11(16(25)26)21-15(24)8(3)20-10(22)6-9(19)13-12(23)14-17(27-13)29-18(4,5)28-14/h7-9,11-14,17,23H,6,19H2,1-5H3,(H,20,22)(H,21,24)(H,25,26)/t8-,9-,11-,12-,13?,14+,17+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...

Eur J Med Chem 53: 13-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.027
BindingDB Entry DOI: 10.7270/Q2QC06CB
More data for this
Ligand-Target Pair