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BDBM475 (Hydroxyethyl)urea Isostere deriv. 3::benzyl N-[(1S)-2-carbamoyl-1-{[(2S,3R)-3-hydroxy-4-[(methylcarbamoyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamoyl}ethyl]carbamate

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

InChI Key: InChIKey=KGHZDRBKSVQHQS-KMDXXIMOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 475   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM475
PNG
((Hydroxyethyl)urea Isostere deriv. 3 | benzyl N-[(...)
Show SMILES CNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H39N5O6/c1-19(2)16-33(27(37)30-3)17-24(34)22(14-20-10-6-4-7-11-20)31-26(36)23(15-25(29)35)32-28(38)39-18-21-12-8-5-9-13-21/h4-13,19,22-24,34H,14-18H2,1-3H3,(H2,29,35)(H,30,37)(H,31,36)(H,32,38)/t22-,23-,24+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Washington University

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Protease


J Med Chem 37: 2206-15 (1994)


Article DOI: 10.1021/jm00040a013
BindingDB Entry DOI: 10.7270/Q29C6ZNK
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM475
PNG
((Hydroxyethyl)urea Isostere deriv. 3 | benzyl N-[(...)
Show SMILES CNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H39N5O6/c1-19(2)16-33(27(37)30-3)17-24(34)22(14-20-10-6-4-7-11-20)31-26(36)23(15-25(29)35)32-28(38)39-18-21-12-8-5-9-13-21/h4-13,19,22-24,34H,14-18H2,1-3H3,(H2,29,35)(H,30,37)(H,31,36)(H,32,38)/t22-,23-,24+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/a6.425



Monsanto Corporate Research



Assay Description
IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench...


J Med Chem 36: 288-91 (1993)


Article DOI: 10.1021/jm00054a014
BindingDB Entry DOI: 10.7270/Q2WW7FTF
More data for this
Ligand-Target Pair