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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 = 'BDBM50368408'   
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)
BDBM50368408
PNG
(CHEMBL1790891 | CHEMBL3349501)
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)c1ccc2ccccc2n1)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C42H52N8O6/c1-3-27(2)38(42(56)45-22-20-30-15-9-10-21-44-30)49-41(55)35-17-11-23-50(35)26-36(51)33(24-28-12-5-4-6-13-28)47-40(54)34(25-37(43)52)48-39(53)32-19-18-29-14-7-8-16-31(29)46-32/h4-10,12-16,18-19,21,27,33-36,38,51H,3,11,17,20,22-26H2,1-2H3,(H2,43,52)(H,45,56)(H,47,54)(H,48,53)(H,49,55)/t27-,33+,34+,35?,36-,38+/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
13n/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