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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50286702   
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)		BDBM50286702
PNG
(3-Amino-N-[(1R,2R)-3-(2-tert-butylcarbamoyl-phenyl...)
Show SMILES Cc1c(N)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H37N3O3S/c1-21-26(14-9-15-28(21)34)31(38)35-29(20-40-25-17-16-22-10-5-6-11-23(22)18-25)30(37)19-24-12-7-8-13-27(24)32(39)36-33(2,3)4/h5-18,29-30,37H,19-20,34H2,1-4H3,(H,35,38)(H,36,39)/t29-,30+/m0/s1
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Article
 49n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity HIV-1 protease enzyme

Bioorg Med Chem Lett 5: 727-732 (1995)


Article DOI: 10.1016/0960-894X(95)00103-Z
BindingDB Entry DOI: 10.7270/Q29S1R0T
More data for this
Ligand-Target Pair