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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 = 'BDBM1217'   
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)		BDBM1217
PNG
((2R,3R,4S)-4-[(2S)-2-(1,2-dihydroisoquinolin-2-ylc...)
Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)N2Cc3ccccc3C=C2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r,c:36|
Show InChI InChI=1S/C44H51N5O6/c1-44(2,3)40(48-43(54)49-23-22-30-14-8-9-16-32(30)27-49)42(53)46-35(24-28-12-6-5-7-13-28)39(51)38(45-26-29-18-20-33(55-4)21-19-29)41(52)47-37-34-17-11-10-15-31(34)25-36(37)50/h5-23,35-40,45,50-51H,24-27H2,1-4H3,(H,46,53)(H,47,52)(H,48,54)/t35-,36+,37-,38+,39+,40+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 12n/an/an/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