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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 = 'BDBM460903'   
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 type 1 group M subtyp...)
BDBM460903
PNG
(US10774053, Compound 17)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2)c2ccc(Cl)c(c2)-c2nccc(=O)[nH]2)[C@H]1O)c1ccc(cc1)-c1cnn(c1)C(F)F |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds were tested in a high-throughput 384-well assay format for their ability to inhibit the replication of HIV-1 (IIIB) in MT-4 cells. Compound...


US Patent US10774053 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1NX9
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM460903
PNG
(US10774053, Compound 17)
Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2CC2)c2ccc(Cl)c(c2)-c2nccc(=O)[nH]2)[C@H]1O)c1ccc(cc1)-c1cnn(c1)C(F)F |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 556n/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...


US Patent US10774053 (2020)


BindingDB Entry DOI: 10.7270/Q2DV1NX9
More data for this
Ligand-Target Pair