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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50478337'   
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))		BDBM50478337
PNG
(CHEMBL403306 | GRL-0036A)
Show SMILES [H][C@@]12CCO[C@]1([H])C[C@@H](C2)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1S/C29H40N2O7S2/c1-20(2)16-31(40(35,36)25-10-8-21(18-32)9-11-25)17-27(33)26(19-39-24-6-4-3-5-7-24)30-29(34)38-23-14-22-12-13-37-28(22)15-23/h3-11,20,22-23,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t22-,23+,26-,27+,28+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0290n/an/an/an/an/an/an/an/a



Kumamoto University Graduate School of Medical and Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease dimerization in MT2 cells

J Biol Chem 282: 28709-20 (2007)


Article DOI: 10.1074/jbc.M703938200
BindingDB Entry DOI: 10.7270/Q2JS9T6J
More data for this
Ligand-Target Pair