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BDBM50469408 CHEMBL4278989

SMILES: [H][C@@]12C[C@@H](C[C@]1([H])N(C)C(=O)O2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1

InChI Key: InChIKey=CWINQZPXCWRCLI-IVMOBWQFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469408   
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))		BDBM50469408
PNG
(CHEMBL4278989)
Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])N(C)C(=O)O2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1 |r|
Show InChI InChI=1S/C32H41N5O7S2/c1-19(2)17-37(46(41,42)23-11-12-24-29(16-23)45-30(34-24)33-21-9-10-21)18-27(38)25(13-20-7-5-4-6-8-20)35-31(39)43-22-14-26-28(15-22)44-32(40)36(26)3/h4-8,11-12,16,19,21-22,25-28,38H,9-10,13-15,17-18H2,1-3H3,(H,33,34)(H,35,39)/t22-,25+,26+,27-,28-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.190n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 wild type NL4-3 protease expressed in Escherichia coli Rosetta (DE3) pLysS using Abz-Thr-Ile-Nle-Phe-(pNO2)-Gln-Arg-NH2 as substra...

J Med Chem 61: 9722-9737 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01227
BindingDB Entry DOI: 10.7270/Q25T3P6J
More data for this
Ligand-Target Pair