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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 = 'BDBM50483623'   
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)		BDBM50483623
PNG
(CHEMBL1761677)
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)NC12NC(=O)C3(OC(C)=O)C4C5C(C14)C1CC5C3C21 |r,THB:38:39:46.45:43,41:40:46.45:43|
Show InChI InChI=1S/C31H44N6O10/c1-5-10(2)24(35-26(43)15(32)9-38)28(45)33-11(3)25(42)34-16(6-7-17(40)41)27(44)36-31-21-14-8-13-18-19(14)23(31)22(18)30(20(13)21,29(46)37-31)47-12(4)39/h10-11,13-16,18-24,38H,5-9,32H2,1-4H3,(H,33,45)(H,34,42)(H,35,43)(H,36,44)(H,37,46)(H,40,41)/t10-,11-,13?,14?,15-,16-,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>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