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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50478119'   
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))		BDBM50478119
PNG
(CHEMBL405858)
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)-c1csc(C)n1)C(C)(C)C
Show InChI InChI=1S/C40H49N5O6S/c1-26-41-32(25-52-26)29-18-16-28(17-19-29)24-45(44-36(47)35(39(2,3)4)43-38(49)51-5)21-11-20-40(50,23-27-12-7-6-8-13-27)37(48)42-34-31-15-10-9-14-30(31)22-33(34)46/h6-10,12-19,25,33-35,46,50H,11,20-24H2,1-5H3,(H,42,48)(H,43,49)(H,44,47)/t33-,34+,35-,40-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 3.5n/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