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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50483075'   
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))		BDBM50483075
PNG
(CHEMBL1276059)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(CO)cc1 |r|
Show InChI InChI=1S/C32H36F3N3O7S/c1-21(2)17-37(46(43,44)24-14-12-23(20-39)13-15-24)18-28(40)26(16-22-8-4-3-5-9-22)36-30(41)29-19-38(31(42)45-29)27-11-7-6-10-25(27)32(33,34)35/h3-15,21,26,28-29,39-40H,16-20H2,1-2H3,(H,36,41)/t26-,28+,29-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.235n/an/an/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 protease by FRET

J Med Chem 53: 7699-708 (2010)


Article DOI: 10.1021/jm1008743
BindingDB Entry DOI: 10.7270/Q2BZ68WM
More data for this
Ligand-Target Pair