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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50288364'   
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))		BDBM50288364
PNG
(CHEMBL4160695)
Show SMILES COc1cccc2cc(oc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(C)cccc1C |r|
Show InChI InChI=1S/C39H45N5O8S/c1-22-11-9-12-23(2)26(22)20-41-37(49)34-39(3,4)53-21-44(34)38(50)32(46)27(17-24-13-7-6-8-14-24)42-35(47)28(19-31(40)45)43-36(48)30-18-25-15-10-16-29(51-5)33(25)52-30/h6-16,18,27-28,32,34,46H,17,19-21H2,1-5H3,(H2,40,45)(H,41,49)(H,42,47)(H,43,48)/t27-,28-,32-,34+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/an/an/a 84n/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