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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM50483626'   
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
HIV-1 protease


(Human immunodeficiency virus)		BDBM50483626
PNG
(CHEMBL1761676)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)Nc1cccc(O)c1 |r|
Show InChI InChI=1S/C23H35N5O8/c1-4-12(2)19(28-21(34)16(24)11-29)23(36)25-13(3)20(33)27-17(8-9-18(31)32)22(35)26-14-6-5-7-15(30)10-14/h5-7,10,12-13,16-17,19,29-30H,4,8-9,11,24H2,1-3H3,(H,25,36)(H,26,35)(H,27,33)(H,28,34)(H,31,32)/t12-,13-,16-,17-,19-/m0/s1
PDB

UniProtKB/TrEMBL

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 HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...

Eur J Med Chem 46: 3976-85 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.071
BindingDB Entry DOI: 10.7270/Q2WD43DZ
More data for this
Ligand-Target Pair