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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 = 'BDBM1242'   
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)		BDBM1242
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 14 | benzyl N-...)
Show SMILES CC(C)C(NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C)C(C)C |r|
Show InChI InChI=1S/C33H49N3O5/c1-22(2)30(23(3)4)36-29(38)19-26(33(5,6)7)31(39)34-20-28(37)27(18-24-14-10-8-11-15-24)35-32(40)41-21-25-16-12-9-13-17-25/h8-17,22-23,26-28,30,37H,18-21H2,1-7H3,(H,34,39)(H,35,40)(H,36,38)/t26-,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 58n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...

J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair