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SMILES: CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN(CC)CCC(O)=O)cc1OC

InChI Key: InChIKey=VLBOFYFPALJWKB-NRFANRHFSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 433565   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 8


(Homo sapiens (Human))
BDBM433565
PNG
((S)-3-((3-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN(CC)CCC(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H43N5O5/c1-5-8-21(12-15-33)30-26-23(19(3)29-27(28)31-26)17-20-9-10-22(18-24(20)36-4)37-16-7-13-32(6-2)14-11-25(34)35/h9-10,18,21,33H,5-8,11-17H2,1-4H3,(H,34,35)(H3,28,29,30,31)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
TLR8/NF-kB/SEAPorter™ HEK 293 Cell Line (Imgenex Corporation) is a stably co-transfected cell line which expresses full-length human TLR8 and the sec...


US Patent US10562861 (2020)


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


(Homo sapiens (Human))
BDBM433565
PNG
((S)-3-((3-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN(CC)CCC(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H43N5O5/c1-5-8-21(12-15-33)30-26-23(19(3)29-27(28)31-26)17-20-9-10-22(18-24(20)36-4)37-16-7-13-32(6-2)14-11-25(34)35/h9-10,18,21,33H,5-8,11-17H2,1-4H3,(H,34,35)(H3,28,29,30,31)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 251n/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