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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50288359'   
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))		BDBM50288359
PNG
(CHEMBL4164025)
Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cc2ccccc2o1 |r|
Show InChI InChI=1S/C38H43N5O7S/c1-22-11-10-12-23(2)26(22)20-40-36(48)33-38(3,4)51-21-43(33)37(49)32(45)27(17-24-13-6-5-7-14-24)41-34(46)28(19-31(39)44)42-35(47)30-18-25-15-8-9-16-29(25)50-30/h5-16,18,27-28,32-33,45H,17,19-21H2,1-4H3,(H2,39,44)(H,40,48)(H,41,46)(H,42,47)/t27-,28-,32-,33+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/an/an/a 61n/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