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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 = 'BDBM1215'   
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)		BDBM1215
PNG
((2R,3R,4S)-4-[(2S)-3,3-dimethyl-2-{2-[(4-methyl-4H...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncn2C)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49N7O6S/c1-39(2,3)35(43-31(48)22-53-38-45-41-23-46(38)4)37(51)42-29(19-24-11-7-6-8-12-24)34(49)33(40-21-25-15-17-27(52-5)18-16-25)36(50)44-32-28-14-10-9-13-26(28)20-30(32)47/h6-18,23,29-30,32-35,40,47,49H,19-22H2,1-5H3,(H,42,51)(H,43,48)(H,44,50)/t29-,30+,32-,33+,34+,35+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.80n/a 190n/an/an/an/an/an/a



Sandoz Research Institute



Assay Description
Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...

J Med Chem 39: 2060-7 (1996)


Article DOI: 10.1021/jm9508696
BindingDB Entry DOI: 10.7270/Q2VT1Q89
More data for this
Ligand-Target Pair