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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498322'   
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))		BDBM50498322
PNG
(CHEMBL3581671)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1cccc(c1)-c1cc(OC(F)(F)F)cc(OC(F)(F)F)c1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C34H40F6N2O8S/c1-21(2)19-42(51(45,46)28-12-10-25(47-6)11-13-28)20-30(43)29(41-31(44)50-32(3,4)5)15-22-8-7-9-23(14-22)24-16-26(48-33(35,36)37)18-27(17-24)49-34(38,39)40/h7-14,16-18,21,29-30,43H,15,19-20H2,1-6H3,(H,41,44)/t29-,30+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 93n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of wild type HIV1 protease

J Med Chem 58: 5334-43 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00676
BindingDB Entry DOI: 10.7270/Q2KK9FT9
More data for this
Ligand-Target Pair