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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50478137'   
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))		BDBM50478137
PNG
(CHEMBL271391)
Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccc2OCOc2c1)NC(=O)c1cccc(N)c1Cl
Show InChI InChI=1S/C32H35ClN4O6S/c1-18-7-4-5-8-20(18)15-35-30(40)28-32(2,3)44-16-37(28)31(41)27(38)23(13-19-11-12-24-25(14-19)43-17-42-24)36-29(39)21-9-6-10-22(34)26(21)33/h4-12,14,23,27-28,38H,13,15-17,34H2,1-3H3,(H,35,40)(H,36,39)/t23-,27-,28+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.163n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease

Bioorg Med Chem 16: 1299-308 (2008)


Article DOI: 10.1016/j.bmc.2007.10.062
BindingDB Entry DOI: 10.7270/Q2RJ4N8X
More data for this
Ligand-Target Pair