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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50520751'   
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))		BDBM50520751
PNG
(CHEMBL4473891)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2[C@@H](O)CC[C@H](N)c2c1 |r|
Show InChI InChI=1S/C32H41N3O6S/c1-21(2)19-35(42(39,40)25-12-10-24(41-3)11-13-25)20-31(37)29(17-22-7-5-4-6-8-22)34-32(38)23-9-14-26-27(18-23)28(33)15-16-30(26)36/h4-14,18,21,28-31,36-37H,15-17,19-20,33H2,1-3H3,(H,34,38)/t28-,29-,30-,31+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0600n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease using fluorogenic substrate by continuous fluorometric assay

Eur J Med Chem 160: 171-182 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.046
BindingDB Entry DOI: 10.7270/Q2320098
More data for this
Ligand-Target Pair