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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 = 'BDBM50053910'   
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)		BDBM50053910
PNG
(4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-2,5,6,7,8,9-hexah...)
Show SMILES CCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCc2oc1=O
Show InChI InChI=1S/C26H26N2O5S/c1-2-21(24-25(29)22-9-4-3-5-10-23(22)33-26(24)30)18-7-6-8-19(15-18)28-34(31,32)20-13-11-17(16-27)12-14-20/h6-8,11-15,21,28-29H,2-5,9-10H2,1H3
PDB
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.0180n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards HIV protease was determined

J Med Chem 39: 4125-30 (1996)


Article DOI: 10.1021/jm960296c
BindingDB Entry DOI: 10.7270/Q2KH0MFB
More data for this
Ligand-Target Pair