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BDBM1229 (Hydroxyethyl)amidosuccinoyl deriv. 1::benzyl N-[(1S)-1-{[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-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)CN1CCCC[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=DHGYJQQCTRWFTI-FKWFRFQNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1229   
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)
BDBM1229
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 1 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H48N4O5/c1-23(2)29(35-32(41)42-22-25-16-10-7-11-17-25)31(40)34-26(20-24-14-8-6-9-15-24)28(38)21-37-19-13-12-18-27(37)30(39)36-33(3,4)5/h6-11,14-17,23,26-29,38H,12-13,18-22H2,1-5H3,(H,34,40)(H,35,41)(H,36,39)/t26-,27-,28+,29-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/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