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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50485786'   
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))		BDBM50485786
PNG
(CHEMBL2164074)
Show SMILES CC(C)[C@H](NC(=O)NNC(=O)NNC(=O)CCCOc1ccc2ccc(OCCCC(=O)NNC(=O)NNC(=O)N[C@@H](C(C)C)C(N)=O)cc2c1)C(N)=O |r|
Show InChI InChI=1S/C32H48N12O10/c1-17(2)25(27(33)47)35-29(49)39-43-31(51)41-37-23(45)7-5-13-53-21-11-9-19-10-12-22(16-20(19)15-21)54-14-6-8-24(46)38-42-32(52)44-40-30(50)36-26(18(3)4)28(34)48/h9-12,15-18,25-26H,5-8,13-14H2,1-4H3,(H2,33,47)(H2,34,48)(H,37,45)(H,38,46)(H2,35,39,49)(H2,36,40,50)(H2,41,43,51)(H2,42,44,52)/t25-,26-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 700n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud 11

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...

J Med Chem 55: 6762-75 (2012)


Article DOI: 10.1021/jm300181j
BindingDB Entry DOI: 10.7270/Q2125WJF
More data for this
Ligand-Target Pair