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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 = 'BDBM1226'   
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)		BDBM1226
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 44 | benzyl...)
Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C49H56N6O7/c1-49(2,3)44(55-48(61)62-31-35-17-9-5-10-18-35)46(59)53-39(27-32-15-7-4-8-16-32)43(57)42(45(58)54-41-38-22-14-13-19-36(38)28-40(41)56)50-29-33-23-25-34(26-24-33)30-51-47(60)52-37-20-11-6-12-21-37/h4-26,39-44,50,56-57H,27-31H2,1-3H3,(H,53,59)(H,54,58)(H,55,61)(H2,51,52,60)/t39-,40+,41-,42+,43+,44+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.30n/a 175n/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