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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 = 'BDBM50283363'   
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)		BDBM50283363
PNG
(CHEMBL312809 | {(S)-1-[1-Benzyl-4-(3,4-dihydro-1H-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C33H35F2N3O5/c1-22(2)28(37-32(42)43-21-24-13-7-4-8-14-24)30(40)36-27(19-23-11-5-3-6-12-23)29(39)33(34,35)31(41)38-18-17-25-15-9-10-16-26(25)20-38/h3-16,22,27-28H,17-21H2,1-2H3,(H,36,40)(H,37,42)/t27?,28-/m0/s1
PDB
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PC cid
PC sid
UniChem

Similars
Article
n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inactivation of purified HIV-1 protease in vitro

Bioorg Med Chem Lett 4: 241-246 (1994)


Article DOI: 10.1016/S0960-894X(01)80122-0
BindingDB Entry DOI: 10.7270/Q2HQ3ZVF
More data for this
Ligand-Target Pair