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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50046398'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50046398
PNG
(1N-[1-benzyl-2-hydroxy-3-[2-methyl-1-methyl(2-pyri...)
Show SMILES CC(C)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(C)C
Show InChI InChI=1S/C41H56N8O7S2/c1-29(2)37(46-57(53,54)48(5)27-33-21-13-15-23-42-33)40(51)44-35(25-31-17-9-7-10-18-31)39(50)36(26-32-19-11-8-12-20-32)45-41(52)38(30(3)4)47-58(55,56)49(6)28-34-22-14-16-24-43-34/h7-24,29-30,35-39,46-47,50H,25-28H2,1-6H3,(H,44,51)(H,45,52)/t35-,36-,37-,38+,39?/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay

J Med Chem 36: 320-30 (1993)


BindingDB Entry DOI: 10.7270/Q25B01J6
More data for this
Ligand-Target Pair