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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Envelope glycoprotein gp160' and Ligand = 'BDBM50531840'   
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
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)
BDBM50531840
PNG
(CHEMBL4441575)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(F)nc1
Show InChI InChI=1S/C16H23FN4O2/c1-15(2)7-11(8-16(3,4)21-15)20-14(23)13(22)19-10-5-6-12(17)18-9-10/h5-6,9,11,21H,7-8H2,1-4H3,(H,19,22)(H,20,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Tokyo Medical and Dental University

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 cYTA48P envelope glycoprotein gp120 infected in human TZM-b1 cells assessed as induction of conformational changes measured ...


Bioorg Med Chem Lett 29: 719-723 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.011
BindingDB Entry DOI: 10.7270/Q2930XMP
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus 1)
BDBM50531840
PNG
(CHEMBL4441575)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc1ccc(F)nc1
Show InChI InChI=1S/C16H23FN4O2/c1-15(2)7-11(8-16(3,4)21-15)20-14(23)13(22)19-10-5-6-12(17)18-9-10/h5-6,9,11,21H,7-8H2,1-4H3,(H,19,22)(H,20,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116616
BindingDB Entry DOI: 10.7270/Q2FT8R2Z
More data for this
Ligand-Target Pair