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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50288345'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50288345
PNG
(CHEMBL4159139)
Show SMILES [H][C@@](NC(=O)c1cc2ccccc2o1)(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(C)cccc1C)[C@@]1([H])CCOC1 |r|
Show InChI InChI=1S/C40H46N4O7S/c1-24-11-10-12-25(2)29(24)21-41-38(48)35-40(3,4)52-23-44(35)39(49)34(45)30(19-26-13-6-5-7-14-26)42-37(47)33(28-17-18-50-22-28)43-36(46)32-20-27-15-8-9-16-31(27)51-32/h5-16,20,28,30,33-35,45H,17-19,21-23H2,1-4H3,(H,41,48)(H,42,47)(H,43,46)/t28-,30-,33-,34-,35+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 678n/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells assessed as reduction in virus-induced cytopathic...

J Med Chem 61: 5138-5153 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01709
BindingDB Entry DOI: 10.7270/Q2T15651
More data for this
Ligand-Target Pair