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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 = 'BDBM50281652'   
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)		BDBM50281652
PNG
((2S,4S,5S)-6-Cyclohexyl-4-hydroxy-2-isopropyl-5-{(...)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)cn1)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)NCc1ccccn1
Show InChI InChI=1S/C46H63N7O6/c1-6-31(4)43(46(58)48-26-34-19-12-13-22-47-34)52-44(56)37(30(2)3)25-40(54)38(23-32-15-8-7-9-16-32)51-45(57)39(24-35-27-53(5)29-49-35)50-42(55)28-59-41-21-14-18-33-17-10-11-20-36(33)41/h10-14,17-22,27,29-32,37-40,43,54H,6-9,15-16,23-26,28H2,1-5H3,(H,48,58)(H,50,55)(H,51,57)(H,52,56)/t31?,37-,38-,39-,40-,43-/m0/s1
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PC cid
PC sid
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Similars
Article
 30n/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