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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 = 'BDBM50183640'   
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)		BDBM50183640
PNG
(CHEMBL205176 | {(1S)-1-[N'-(4-benzo[1,3]dioxol-5-y...)
Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1ccc(cc1)-c1ccc2OCOc2c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H46N4O8/c1-40(2,3)36(43-39(49)51-4)37(47)44-45(23-27-14-16-28(17-15-27)29-18-19-33-34(21-29)53-25-52-33)24-41(50,22-26-10-6-5-7-11-26)38(48)42-35-31-13-9-8-12-30(31)20-32(35)46/h5-19,21,32,35-36,46,50H,20,22-25H2,1-4H3,(H,42,48)(H,43,49)(H,44,47)/t32-,35+,36-,41+/m1/s1
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Similars
Article
PubMed
 11n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease

J Med Chem 49: 1828-32 (2006)


Article DOI: 10.1021/jm051239z
BindingDB Entry DOI: 10.7270/Q2PC3357
More data for this
Ligand-Target Pair