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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50481434'   
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))		BDBM50481434
PNG
(CHEMBL577638)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1cc(cs1)-c1ccccc1)NC(=O)c1cccc(O)c1C)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C36H47N3O4S/c1-23-29(15-10-16-32(23)40)34(42)37-30(19-28-17-27(22-44-28)24-11-6-5-7-12-24)33(41)21-39-20-26-14-9-8-13-25(26)18-31(39)35(43)38-36(2,3)4/h5-7,10-12,15-17,22,25-26,30-31,33,40-41H,8-9,13-14,18-21H2,1-4H3,(H,37,42)(H,38,43)/t25-,26+,30-,31-,33+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Universit£ degli Studi della Basilicata

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate

J Med Chem 53: 1451-7 (2010)


Article DOI: 10.1021/jm900846f
BindingDB Entry DOI: 10.7270/Q2P271XP
More data for this
Ligand-Target Pair