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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 = 'BDBM1219'   
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)		BDBM1219
PNG
((2R,3R,4S)-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihy...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)\C=C\c2ccc(OC)cc2O)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
Show InChI InChI=1S/C44H52N4O8/c1-44(2,3)41(47-37(51)22-18-29-17-21-32(56-5)25-35(29)49)43(54)46-34(23-27-11-7-6-8-12-27)40(52)39(45-26-28-15-19-31(55-4)20-16-28)42(53)48-38-33-14-10-9-13-30(33)24-36(38)50/h6-22,25,34,36,38-41,45,49-50,52H,23-24,26H2,1-5H3,(H,46,54)(H,47,51)(H,48,53)/b22-18+/t34-,36+,38-,39+,40+,41+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 18n/a 238n/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