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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 = 'BDBM50041151'   
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)
BDBM50041151
PNG
(CHEMBL15561 | N-((1S,2S)-1-Benzyl-2-hydroxy-4-{[(1...)
Show SMILES O[C@@H](CCC(=O)NC(c1cc2ccccc2[nH]1)c1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc2ccccc2n1)C(O)=O
Show InChI InChI=1S/C42H38F3N5O6/c43-42(44,45)29-14-8-13-28(22-29)39(34-23-27-12-5-7-16-31(27)47-34)50-37(52)20-19-36(51)33(21-25-9-2-1-3-10-25)48-38(53)24-35(41(55)56)49-40(54)32-18-17-26-11-4-6-15-30(26)46-32/h1-18,22-23,33,35-36,39,47,51H,19-21,24H2,(H,48,53)(H,49,54)(H,50,52)(H,55,56)/t33-,35?,36-,39?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
33n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against HIV -1 protease


J Med Chem 37: 1145-52 (1994)


BindingDB Entry DOI: 10.7270/Q2TM795W
More data for this
Ligand-Target Pair