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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM307532'   
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
Toll-like receptor 7


(Homo sapiens (Human))
BDBM307532
PNG
((R)-1-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylamino...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C25H37N5O4/c1-4-6-19(10-12-31)28-23-20(16(2)27-25(26)29-23)14-18-9-8-17(13-22(18)34-3)15-30-11-5-7-21(30)24(32)33/h8-9,13,19,21,31H,4-7,10-12,14-15H2,1-3H3,(H,32,33)(H3,26,27,28,29)/t19-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 200n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...


US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM307532
PNG
((R)-1-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylamino...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C25H37N5O4/c1-4-6-19(10-12-31)28-23-20(16(2)27-25(26)29-23)14-18-9-8-17(13-22(18)34-3)15-30-11-5-7-21(30)24(32)33/h8-9,13,19,21,31H,4-7,10-12,14-15H2,1-3H3,(H,32,33)(H3,26,27,28,29)/t19-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.70E+3n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the rep...


US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair