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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 = 'BDBM1213'   
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)		BDBM1213
PNG
((2R,3R,4S)-4-[(2S)-2-[3-(1H-1,3-benzodiazol-2-yl)p...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
Show InChI InChI=1S/C44H52N6O6/c1-44(2,3)41(49-37(52)23-22-36-46-32-16-10-11-17-33(32)47-36)43(55)48-34(24-27-12-6-5-7-13-27)40(53)39(45-26-28-18-20-30(56-4)21-19-28)42(54)50-38-31-15-9-8-14-29(31)25-35(38)51/h5-21,34-35,38-41,45,51,53H,22-26H2,1-4H3,(H,46,47)(H,48,55)(H,49,52)(H,50,54)/t34-,35+,38-,39+,40+,41+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.40n/a 98n/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