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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 protease' and Ligand = 'BDBM50288946'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288946
PNG
(2-{2-[(2R,3S)-3-((S)-1-{3-Carbamoyl-2-[(quinoline-...)
Show SMILES CCC(C)C(NC(=O)C[C@H]1O[C@H]1[C@H](Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(O)=O
Show InChI InChI=1S/C32H37N5O7/c1-3-18(2)28(32(42)43)37-27(39)17-25-29(44-25)23(15-19-9-5-4-6-10-19)35-31(41)24(16-26(33)38)36-30(40)22-14-13-20-11-7-8-12-21(20)34-22/h4-14,18,23-25,28-29H,3,15-17H2,1-2H3,(H2,33,38)(H,35,41)(H,36,40)(H,37,39)(H,42,43)/t18?,23-,24?,25+,28?,29-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV protease was determined


Bioorg Med Chem Lett 6: 589-594 (1996)


Article DOI: 10.1016/0960-894X(96)00087-X
BindingDB Entry DOI: 10.7270/Q2FQ9WM4
More data for this
Ligand-Target Pair