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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 = 'BDBM50046387'   
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)		BDBM50046387
PNG
((1-{1-Benzyl-2-hydroxy-3-[3-methyl-2-(2-morpholin-...)
Show SMILES CC(C)[C@H](NC(=O)OCCN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C42H57N5O8/c1-29(2)36(45-41(51)54-25-22-47-20-23-53-24-21-47)39(49)43-34(26-31-14-8-5-9-15-31)38(48)35(27-32-16-10-6-11-17-32)44-40(50)37(30(3)4)46-42(52)55-28-33-18-12-7-13-19-33/h5-19,29-30,34-38,48H,20-28H2,1-4H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)/t34-,35-,36-,37+,38+/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars
PubMed
n/an/a 9n/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