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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 protease' and Ligand = 'BDBM50368411'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368411
PNG
(CHEMBL1790882 | CHEMBL3349493)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C40H53N7O7/c1-3-27(2)36(39(52)43-21-19-30-17-10-11-20-42-30)46-38(51)33-18-12-22-47(33)25-34(48)31(23-28-13-6-4-7-14-28)44-37(50)32(24-35(41)49)45-40(53)54-26-29-15-8-5-9-16-29/h4-11,13-17,20,27,31-34,36,48H,3,12,18-19,21-26H2,1-2H3,(H2,41,49)(H,43,52)(H,44,50)(H,45,53)(H,46,51)/t27-,31+,32+,33?,34-,36+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
71n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair