BindingDB logo
myBDB logout

BDBM50006832 CHEMBL313993::[1-Benzyl-3-(1-tert-butylcarbamoyl-2-phenyl-ethylamino)-2-hydroxy-propyl]-carbamic acid tert-butyl ester (hydrate)

SMILES: CC(C)(C)NC(=O)C(Cc1ccccc1)NCC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=VKWFIQOEMOOVBX-BOMBAVFCSA-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 = 50006832   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50006832
PNG
(CHEMBL313993 | [1-Benzyl-3-(1-tert-butylcarbamoyl-...)
Show SMILES CC(C)(C)NC(=O)C(Cc1ccccc1)NCC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C28H41N3O4/c1-27(2,3)31-25(33)23(18-21-15-11-8-12-16-21)29-19-24(32)22(17-20-13-9-7-10-14-20)30-26(34)35-28(4,5)6/h7-16,22-24,29,32H,17-19H2,1-6H3,(H,30,34)(H,31,33)/t22-,23?,24?/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assay


J Med Chem 35: 2525-33 (1992)


Article DOI: 10.1021/jm00092a002
BindingDB Entry DOI: 10.7270/Q2PC31C3
More data for this
Ligand-Target Pair