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BDBM1239 (Hydroxyethyl)amidosuccinoyl deriv. 11::benzyl N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-yl)butanediamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate

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

InChI Key: InChIKey=JLBJKFNEWPIYQA-GMQQYTKMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1239   
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)
BDBM1239
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 11 | benzyl N-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C31H45N3O5/c1-6-24(7-2)33-28(36)19-25(31(3,4)5)29(37)32-20-27(35)26(18-22-14-10-8-11-15-22)34-30(38)39-21-23-16-12-9-13-17-23/h8-17,24-27,35H,6-7,18-21H2,1-5H3,(H,32,37)(H,33,36)(H,34,38)/t25-,26-,27+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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