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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 = 'BDBM50283364'   
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)		BDBM50283364
PNG
(CHEMBL314234 | {(S)-1-[1-(4-Benzyloxy-benzyl)-4-(3...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C40H41F2N3O6/c1-27(2)35(44-39(49)51-26-30-13-7-4-8-14-30)37(47)43-34(23-28-17-19-33(20-18-28)50-25-29-11-5-3-6-12-29)36(46)40(41,42)38(48)45-22-21-31-15-9-10-16-32(31)24-45/h3-20,27,34-35H,21-26H2,1-2H3,(H,43,47)(H,44,49)/t34?,35-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars
Article
n/an/a 2n/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