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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 = 'BDBM50404009'   
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)		BDBM50404009
PNG
(CHEMBL420503)
Show SMILES CNc1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(NC)c3)C2=O)ccc1F
Show InChI InChI=1S/C35H38F2N4O2/c1-38-30-19-26(13-16-28(30)36)22-40-32(18-15-24-9-5-3-6-10-24)34(42)33(21-25-11-7-4-8-12-25)41(35(40)43)23-27-14-17-29(37)31(20-27)39-2/h3-14,16-17,19-20,32-34,38-39,42H,15,18,21-23H2,1-2H3/t32-,33-,34-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 4.90n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against HIV-1 aspartyl protease.

Bioorg Med Chem Lett 12: 3453-7 (2002)


BindingDB Entry DOI: 10.7270/Q2B27WG3
More data for this
Ligand-Target Pair