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BDBM50067603 CHEMBL3400721

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN(CC(=O)N(C)C)c1cccc(O)c1C)S(=O)(=O)c1ccc(CO)cc1

InChI Key: InChIKey=NCHDLLLVKFZYFJ-BHDXBOSCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50067603   
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))
BDBM50067603
PNG
(CHEMBL3400721)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN(CC(=O)N(C)C)c1cccc(O)c1C)S(=O)(=O)c1ccc(CO)cc1 |r|
Show InChI InChI=1S/C34H46N4O7S/c1-24(2)19-38(46(44,45)28-16-14-27(23-39)15-17-28)20-32(41)29(18-26-10-7-6-8-11-26)35-33(42)21-37(22-34(43)36(4)5)30-12-9-13-31(40)25(30)3/h6-17,24,29,32,39-41H,18-23H2,1-5H3,(H,35,42)/t29-,32+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/a25



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli incubated for 20 to 30 mins at room temperature using (Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-I...


Bioorg Med Chem Lett 25: 1880-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.047
BindingDB Entry DOI: 10.7270/Q2FT8NQ7
More data for this
Ligand-Target Pair