BindingDB logo
myBDB logout

BDBM1230 (Hydroxyethyl)amidosuccinoyl deriv. 2::benzyl N-[(1S)-1-{[(2S,3R)-4-{[2-(tert-butylcarbamoyl)cyclohexyl]formamido}-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)C1CCCCC1C(=O)NC(C)(C)C

InChI Key: InChIKey=UBEGCQHZVJEZFE-GYHIUYGSSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1230   
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)
BDBM1230
PNG
((Hydroxyethyl)amidosuccinoyl deriv. 2 | benzyl N-[...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C1CCCCC1C(=O)NC(C)(C)C
Show InChI InChI=1S/C35H50N4O6/c1-23(2)30(38-34(44)45-22-25-16-10-7-11-17-25)33(43)37-28(20-24-14-8-6-9-15-24)29(40)21-36-31(41)26-18-12-13-19-27(26)32(42)39-35(3,4)5/h6-11,14-17,23,26-30,40H,12-13,18-22H2,1-5H3,(H,36,41)(H,37,43)(H,38,44)(H,39,42)/t26?,27?,28-,29+,30-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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