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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50481426'   
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))		BDBM50481426
PNG
(CHEMBL578053)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@@H](NC(=O)c1cccc(O)c1C)c1cc(cs1)-c1ccccc1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C35H45N3O4S/c1-22-27(15-10-16-29(22)39)33(41)36-32(31-18-26(21-43-31)23-11-6-5-7-12-23)30(40)20-38-19-25-14-9-8-13-24(25)17-28(38)34(42)37-35(2,3)4/h5-7,10-12,15-16,18,21,24-25,28,30,32,39-40H,8-9,13-14,17,19-20H2,1-4H3,(H,36,41)(H,37,42)/t24-,25+,28-,30+,32+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ degli Studi della Basilicata

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate

J Med Chem 53: 1451-7 (2010)


Article DOI: 10.1021/jm900846f
BindingDB Entry DOI: 10.7270/Q2P271XP
More data for this
Ligand-Target Pair