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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50457602'   
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))		BDBM50457602
PNG
(CHEMBL4214741)
Show SMILES [H][C@@]12CO[C@@]3([H])O[C@H](COC)C[C@@]([H])([C@H](C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1)[C@@]23[H] |r|
Show InChI InChI=1S/C33H46N2O9S/c1-21(2)17-35(45(38,39)26-12-10-24(41-4)11-13-26)18-29(36)28(14-22-8-6-5-7-9-22)34-33(37)44-30-15-23-19-42-32-31(23)27(30)16-25(43-32)20-40-3/h5-13,21,23,25,27-32,36H,14-20H2,1-4H3,(H,34,37)/t23-,25-,27-,28-,29+,30-,31+,32-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0900n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl...

J Med Chem 61: 4561-4577 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00298
BindingDB Entry DOI: 10.7270/Q2445Q35
More data for this
Ligand-Target Pair