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BDBM50006826 2-Amino-N*1*-{1-benzyl-2-hydroxy-3-[1-(2-hydroxy-indan-1-ylcarbamoyl)-2-phenyl-ethylamino]-propyl}-succinamide (0.80 hydrate)::CHEMBL309402

SMILES: NC(CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=BPQXCHUOSLLJPB-KYIREOCBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006826   
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)
BDBM50006826
PNG
(2-Amino-N*1*-{1-benzyl-2-hydroxy-3-[1-(2-hydroxy-i...)
Show SMILES NC(CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C32H39N5O5/c33-24(18-29(34)40)31(41)36-25(15-20-9-3-1-4-10-20)28(39)19-35-26(16-21-11-5-2-6-12-21)32(42)37-30-23-14-8-7-13-22(23)17-27(30)38/h1-14,24-28,30,35,38-39H,15-19,33H2,(H2,34,40)(H,36,41)(H,37,42)/t24?,25-,26-,27+,28+,30?/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.10E+3n/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