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SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1C=CC[C@@H]1O

InChI Key: InChIKey=AENNKGPSWPTNCT-OIJLGNSKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50422331   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50422331
PNG
(CHEMBL138336)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1C=CC[C@@H]1O |c:33|
Show InChI InChI=1S/C29H38N2O5/c1-29(2,3)36-28(35)31-24(18-21-13-8-5-9-14-21)26(33)19-22(17-20-11-6-4-7-12-20)27(34)30-23-15-10-16-25(23)32/h4-15,22-26,32-33H,16-19H2,1-3H3,(H,30,34)(H,31,35)/t22-,23?,24+,25+,26+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 9.5n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human immunodeficiency virus type 1 (HIV-1) protease enzyme.

J Med Chem 43: 4446-51 (2000)


BindingDB Entry DOI: 10.7270/Q2S75HMB
More data for this
Ligand-Target Pair