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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 = 'BDBM50073088'   
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)		BDBM50073088
PNG
(3-[(4R,5S,6S,7R)-3-(3-Amino-phenyl)-4,7-dibenzyl-5...)
Show SMILES Cc1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(c4cccc(N)c4)C3=O)c2)nc1
Show InChI InChI=1S/C39H39N5O4/c1-26-18-19-35(41-24-26)42-38(47)30-15-8-14-29(20-30)25-43-33(21-27-10-4-2-5-11-27)36(45)37(46)34(22-28-12-6-3-7-13-28)44(39(43)48)32-17-9-16-31(40)23-32/h2-20,23-24,33-34,36-37,45-46H,21-22,25,40H2,1H3,(H,41,42,47)/t33-,34-,36+,37+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.0750n/an/an/an/an/an/an/an/a



Lindsley F. Kimball Research Institute of The New York Blood Center

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease

J Med Chem 42: 249-59 (1999)


Article DOI: 10.1021/jm980369n
BindingDB Entry DOI: 10.7270/Q2JM28TM
More data for this
Ligand-Target Pair