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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50481435'   
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))		BDBM50481435
PNG
(CHEMBL606392)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1cccs1)NC(=O)c1cccc(O)c1C)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C30H43N3O4S/c1-19-23(12-7-13-26(19)34)28(36)31-24(16-22-11-8-14-38-22)27(35)18-33-17-21-10-6-5-9-20(21)15-25(33)29(37)32-30(2,3)4/h7-8,11-14,20-21,24-25,27,34-35H,5-6,9-10,15-18H2,1-4H3,(H,31,36)(H,32,37)/t20-,21+,24-,25-,27+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/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