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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50485191'   
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))		BDBM50485191
PNG
(CHEMBL2035863)
Show SMILES [H][C@]12OC([C@@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O)NCc3ccccc3)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2 |r|
Show InChI InChI=1S/C32H43N3O8/c1-19(2)25(29(37)34-20(3)30(38)39)35-24(36)16-23(33-17-21-12-8-6-9-13-21)26-27(40-18-22-14-10-7-11-15-22)28-31(41-26)43-32(4,5)42-28/h6-15,19-20,23,25-28,31,33H,16-18H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t20-,23+,25-,26?,27-,28+,31+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.09E+3n/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