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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 = 'BDBM307522'   
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))
BDBM307522
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r|
Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 79.4n/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))
BDBM307522
PNG
((S)-2-((4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(F)F)CC(O)=O)cc1OC |r|
Show InChI InChI=1S/C24H35F2N5O4/c1-4-5-18(8-9-32)29-23-19(15(2)28-24(27)30-23)11-17-7-6-16(10-20(17)35-3)12-31(13-21(25)26)14-22(33)34/h6-7,10,18,21,32H,4-5,8-9,11-14H2,1-3H3,(H,33,34)(H3,27,28,29,30)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.10E+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