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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50288360'   
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))		BDBM50288360
PNG
(CHEMBL4163344)
Show SMILES [H][C@@](NC(=O)c1cnc2ccccc2n1)(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C)[C@@]1([H])CCOC1 |r|
Show InChI InChI=1S/C39H44N6O6S/c1-24-11-7-8-14-26(24)20-41-37(49)34-39(2,3)52-23-45(34)38(50)33(46)30(19-25-12-5-4-6-13-25)43-36(48)32(27-17-18-51-22-27)44-35(47)31-21-40-28-15-9-10-16-29(28)42-31/h4-16,21,27,30,32-34,46H,17-20,22-23H2,1-3H3,(H,41,49)(H,43,48)(H,44,47)/t27-,30-,32-,33-,34+/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 95n/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