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BDBM1236 (Hydroxyethyl)amidosuccinoyl deriv. 8::benzyl N-[(1S)-1-{[(2S,3S)-4-[(2R)-N,2-di-tert-butylbutanediamido]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C

InChI Key: InChIKey=UPWOUZDRKCEYPI-NUISNXNRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1236   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM1236
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 8 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C35H52N4O6/c1-23(2)30(38-33(44)45-22-25-17-13-10-14-18-25)32(43)37-27(19-24-15-11-9-12-16-24)28(40)21-36-31(42)26(34(3,4)5)20-29(41)39-35(6,7)8/h9-18,23,26-28,30,40H,19-22H2,1-8H3,(H,36,42)(H,37,43)(H,38,44)(H,39,41)/t26-,27-,28-,30-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/a5.537



Boehringer Ingelheim (Canada) Ltd.



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...


J Med Chem 40: 2164-76 (1997)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2R20ZJW
More data for this
Ligand-Target Pair