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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 = 'BDBM50156012'   
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)		BDBM50156012
PNG
(2-(2-{(2R,4S)-5-[2-(2-Benzyloxycarbonylamino-propi...)
Show SMILES CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C40H59N5O9/c1-9-16-30(37(49)44-33(24(2)3)38(50)45-34(25(4)5)39(51)53-8)22-32(46)31(21-28-17-12-10-13-18-28)43-36(48)26(6)41-35(47)27(7)42-40(52)54-23-29-19-14-11-15-20-29/h10-15,17-20,24-27,30-34,46H,9,16,21-23H2,1-8H3,(H,41,47)(H,42,52)(H,43,48)(H,44,49)(H,45,50)/t26?,27?,30-,31?,32+,33?,34?/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.400n/an/an/an/an/an/an/an/a



University of Zürich

Curated by ChEMBL


Assay Description
Binding affinity towards human immunodeficiency virus type 1 protease determined using continuum electrostatics solvation

J Med Chem 47: 5791-7 (2004)


Article DOI: 10.1021/jm049726m
BindingDB Entry DOI: 10.7270/Q2NG4Q3W
More data for this
Ligand-Target Pair