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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 = 'BDBM50282528'   
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)		BDBM50282528
PNG
((R)-2-[4-((S)-2-Benzyloxycarbonylamino-3-methyl-bu...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N[C@H](C(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C40H49F2N3O8/c1-25(2)32(45-38(50)52-24-29-16-12-9-13-17-29)35(47)43-31(22-27-18-20-30(21-19-27)51-23-28-14-10-8-11-15-28)34(46)40(41,42)37(49)44-33(26(3)4)36(48)53-39(5,6)7/h8-21,25-26,31-33H,22-24H2,1-7H3,(H,43,47)(H,44,49)(H,45,50)/t31?,32-,33+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV-1 protease.

Bioorg Med Chem Lett 4: 1213-1218 (1994)


Article DOI: 10.1016/S0960-894X(01)80332-2
BindingDB Entry DOI: 10.7270/Q24Q7TXS
More data for this
Ligand-Target Pair