BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50485183'   
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))		BDBM50485183
PNG
(CHEMBL2034991)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(C\C=C\c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(=O)NC[C@H]1OC(O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C39H55N3O9/c1-39(2,3)51-38(49)41-29(22-26-16-9-5-10-17-26)30(43)23-28(21-13-18-25-14-7-4-8-15-25)35(46)42-32(27-19-11-6-12-20-27)36(47)40-24-31-33(44)34(45)37(48)50-31/h4-5,7-10,13-18,27-34,37,43-45,48H,6,11-12,19-24H2,1-3H3,(H,40,47)(H,41,49)(H,42,46)/b18-13+/t28?,29-,30-,31+,32-,33-,34+,37?/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease

Eur J Med Chem 53: 13-21 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.027
BindingDB Entry DOI: 10.7270/Q2QC06CB
More data for this
Ligand-Target Pair