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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50478108'   
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))		BDBM50478108
PNG
(CHEMBL272832)
Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(cc1)-c1cncnc1)C(C)(C)C
Show InChI InChI=1S/C40H48N6O6/c1-39(2,3)35(44-38(50)52-4)36(48)45-46(25-28-15-17-29(18-16-28)31-23-41-26-42-24-31)20-10-19-40(51,22-27-11-6-5-7-12-27)37(49)43-34-32-14-9-8-13-30(32)21-33(34)47/h5-9,11-18,23-24,26,33-35,47,51H,10,19-22,25H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t33-,34+,35-,40-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli

J Med Chem 51: 1053-7 (2008)


Article DOI: 10.1021/jm070680h
BindingDB Entry DOI: 10.7270/Q20Z7629
More data for this
Ligand-Target Pair