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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50283296'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283296
PNG
(CHEMBL309582 | {(1S,2R)-1-Benzyl-3-[2-((R)-tert-bu...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cccc(O)c2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H50N4O7S/c1-23(2)31-30(14-17-46(31,43)44)45-33(42)35-27(19-24-10-7-6-8-11-24)29(40)22-38-16-15-37(20-25-12-9-13-26(39)18-25)21-28(38)32(41)36-34(3,4)5/h6-13,18,23,27-31,39-40H,14-17,19-22H2,1-5H3,(H,35,42)(H,36,41)/t27-,28-,29+,30+,31+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a 127n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair