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BDBM1245 (Hydroxyethyl)amidosuccinoyl deriv. 17::benzyl N-[(1S)-1-{[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-yl)butanediamido]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate

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

InChI Key: InChIKey=DLCNQKKUXRFUON-XFTNXAEASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1245   
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)
BDBM1245
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 17 | benzyl N-...)
Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H51N5O7/c1-6-25(7-2)38-31(43)19-26(35(3,4)5)32(44)37-21-29(41)27(18-23-14-10-8-11-15-23)39-33(45)28(20-30(36)42)40-34(46)47-22-24-16-12-9-13-17-24/h8-17,25-29,41H,6-7,18-22H2,1-5H3,(H2,36,42)(H,37,44)(H,38,43)(H,39,45)(H,40,46)/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 3.80n/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