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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 = 'BDBM1112'   
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)		BDBM1112
PNG
((4R,5R,6R)-Tetrahydro-5-hydroxy-1,3-bis[(3-(5-meth...)
Show SMILES Cc1ccc(NC(=O)c2cccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(c4)C(=O)Nc4ccc(C)cn4)C3=O)c2)nc1 |r|
Show InChI InChI=1S/C47H46N6O4/c1-32-19-23-42(48-28-32)50-45(55)38-17-9-15-36(25-38)30-52-40(22-21-34-11-5-3-6-12-34)44(54)41(27-35-13-7-4-8-14-35)53(47(52)57)31-37-16-10-18-39(26-37)46(56)51-43-24-20-33(2)29-49-43/h3-20,23-26,28-29,40-41,44,54H,21-22,27,30-31H2,1-2H3,(H,48,50,55)(H,49,51,56)/t40-,41-,44-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars
Article
PubMed
 0.0800n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company



Assay Description
Inhibition constant of HIV protease inhibitors

J Med Chem 42: 135-52 (1999)


Article DOI: 10.1021/jm9803626
BindingDB Entry DOI: 10.7270/Q28050S9
More data for this
Ligand-Target Pair