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BDBM53 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2E)-3-phenylprop-2-en-1-yl]-1,3-diazepan-2-one::DMPC Cyclic Urea 33

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C\c2ccccc2)C(=O)N(C\C=C\c2ccccc2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=PQAGQBVFTNIPFE-IKDXNIPKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 53   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM53
PNG
((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C\c2ccccc2)C(=O)N(C\C=C\c2ccccc2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C37H38N2O3/c40-35-33(27-31-19-9-3-10-20-31)38(25-13-23-29-15-5-1-6-16-29)37(42)39(26-14-24-30-17-7-2-8-18-30)34(36(35)41)28-32-21-11-4-12-22-32/h1-24,33-36,40-41H,25-28H2/b23-13+,24-14+/t33-,34-,35+,36+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70 -11.8n/an/an/an/an/a5.537



DuPont Pharmaceuticals Company



Assay Description
Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...


J Med Chem 39: 3514-25 (1996)


Article DOI: 10.1021/jm9602571
BindingDB Entry DOI: 10.7270/Q2ZW1J3M
More data for this
Ligand-Target Pair