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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 = 'BDBM50483621'   
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)		BDBM50483621
PNG
(CHEMBL1761679)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:37:38:45.44:42,40:39:45.44:42|
Show InChI InChI=1S/C31H46N6O9/c1-5-11(4)24(35-25(41)14(32)9-38)28(44)34-23(10(2)3)27(43)33-15(6-7-16(39)40)26(42)36-31-20-13-8-12-17-18(13)22(31)21(17)30(46,19(12)20)29(45)37-31/h10-15,17-24,38,46H,5-9,32H2,1-4H3,(H,33,43)(H,34,44)(H,35,41)(H,36,42)(H,37,45)(H,39,40)/t11-,12?,13?,14-,15-,17?,18?,19?,20?,21?,22?,23-,24-,30?,31?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/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