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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 = 'BDBM50281646'   
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)		BDBM50281646
PNG
((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-(2...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)COc1ccccc1)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C35H52N4O5/c1-5-25(4)33(35(43)37-22-27-16-12-13-19-36-27)39-34(42)29(24(2)3)21-31(40)30(20-26-14-8-6-9-15-26)38-32(41)23-44-28-17-10-7-11-18-28/h7,10-13,16-19,24-26,29-31,33,40H,5-6,8-9,14-15,20-23H2,1-4H3,(H,37,43)(H,38,41)(H,39,42)/t25?,29-,30-,31-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
 61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against HIV-1 protease

Bioorg Med Chem Lett 3: 819-824 (1993)


Article DOI: 10.1016/S0960-894X(00)80673-3
BindingDB Entry DOI: 10.7270/Q2NS0VCQ
More data for this
Ligand-Target Pair