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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM3406'   
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM3406
PNG
((2S)-N-tert-butyl-1-[(2S)-4-[1-(tert-butylcarbamoy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)CCc1ccc2ccccc2c1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H41N3O3/c1-27(2,3)29-25(33)23-12-9-17-31(23)18-21(32)16-15-20-14-13-19-10-7-8-11-22(19)24(20)26(34)30-28(4,5)6/h7-8,10-11,13-14,21,23,32H,9,12,15-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,23-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/an/an/an/a5.637



Agouron Pharmaceuticals, Inc.



Assay Description
Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...

J Med Chem 39: 2781-94 (1996)


Article DOI: 10.1021/jm960093o
BindingDB Entry DOI: 10.7270/Q2K072F6
More data for this
Ligand-Target Pair