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BDBM50190637 CHEMBL3827348

SMILES: COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)N[C@@H]2CCc3ccccc23)CO1

InChI Key: InChIKey=HPWOWDGKGVPHHW-RPWYQEBTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50190637   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50190637
PNG
(CHEMBL3827348)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)N[C@@H]2CCc3ccccc23)CO1 |r|
Show InChI InChI=1S/C40H44N4O6/c1-48-39(46)44-37(36(29-14-4-2-5-15-29)30-16-6-3-7-17-30)38(45)42-34-19-11-9-13-28(34)20-22-32-24-41-31(25-49-32)26-50-40(47)43-35-23-21-27-12-8-10-18-33(27)35/h2-19,31-32,35-37,41H,20-26H2,1H3,(H,42,45)(H,43,47)(H,44,46)/t31-,32+,35+,37-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 9.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...

ACS Med Chem Lett 7: 702-7 (2016)


BindingDB Entry DOI: 10.7270/Q28W3G74
More data for this
Ligand-Target Pair