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BDBM50285908 CHEMBL90139::[(1S,3S,4S)-4-(3-Amino-4-hydroxy-benzoylamino)-1-benzyl-3-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(N)c1)Cc1ccccc1

InChI Key: InChIKey=HGMFPCSWXNAFOY-RMDSEJHCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285908   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50285908
PNG
(CHEMBL90139 | [(1S,3S,4S)-4-(3-Amino-4-hydroxy-ben...)
Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(N)c1)Cc1ccccc1
Show InChI InChI=1S/C30H37N3O5/c1-30(2,3)38-29(37)32-23(16-20-10-6-4-7-11-20)19-27(35)25(17-21-12-8-5-9-13-21)33-28(36)22-14-15-26(34)24(31)18-22/h4-15,18,23,25,27,34-35H,16-17,19,31H2,1-3H3,(H,32,37)(H,33,36)/t23-,25-,27-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 7.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV protease


Bioorg Med Chem Lett 5: 2725-2728 (1995)


Article DOI: 10.1016/0960-894X(95)00462-3
BindingDB Entry DOI: 10.7270/Q26973JN
More data for this
Ligand-Target Pair