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SMILES: CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC

InChI Key: InChIKey=RAOIMTPEPSLKEC-NZQKXSOJSA-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 5 hits for monomerid = 307527   
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 7


(Homo sapiens (Human))
BDBM307527
PNG
((R)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.90E+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
Toll-like receptor 8


(Homo sapiens (Human))
BDBM307527
PNG
((R)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23+/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 secr...


US Patent US10150743 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM307527
PNG
((R)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sumitomo Dainippon Pharma Co., Ltd.

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...


US Patent US10562861 (2020)


BindingDB Entry DOI: 10.7270/Q22F7QTT
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM307527
PNG
((R)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23+/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))
BDBM307527
PNG
((R)-1-(3-(4-((2-amino-4-((S)-1-hydroxyhexan-3-ylam...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(OCCCN2CCC[C@@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C27H41N5O5/c1-4-7-20(11-14-33)30-25-22(18(2)29-27(28)31-25)16-19-9-10-21(17-24(19)36-3)37-15-6-13-32-12-5-8-23(32)26(34)35/h9-10,17,20,23,33H,4-8,11-16H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t20-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 126n/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