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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 = 'BDBM1223'   
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)		BDBM1223
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 41 | benzyl...)
Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C43H52N4O8/c1-43(2,3)39(47-42(53)55-27-30-14-8-5-9-15-30)41(52)45-34(24-28-12-6-4-7-13-28)38(50)37(44-26-29-18-20-32(21-19-29)54-23-22-48)40(51)46-36-33-17-11-10-16-31(33)25-35(36)49/h4-21,34-39,44,48-50H,22-27H2,1-3H3,(H,45,52)(H,46,51)(H,47,53)/t34-,35+,36-,37+,38+,39+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 16n/a 155n/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