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BDBM1242 (Hydroxyethyl)amidosuccinoyl deriv. 14::benzyl N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(2,4-dimethylpentan-3-yl)butanediamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate

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

InChI Key: InChIKey=SCXIXUQUBGZHMQ-HZFUHODCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1242   
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)
BDBM1242
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 14 | benzyl N-...)
Show SMILES CC(C)C(NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C)C(C)C
Show InChI InChI=1S/C33H49N3O5/c1-22(2)30(23(3)4)36-29(38)19-26(33(5,6)7)31(39)34-20-28(37)27(18-24-14-10-8-11-15-24)35-32(40)41-21-25-16-12-9-13-17-25/h8-17,22-23,26-28,30,37H,18-21H2,1-7H3,(H,34,39)(H,35,40)(H,36,38)/t26-,27-,28+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/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