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BDBM307529 (S)-3-((3-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxyphenoxy)propyl)(ethyl)amino)propanoic acid::BDBM307530::US10150743, Example 10

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

InChI Key: InChIKey=QZFXSCDMRRGGHK-FQEVSTJZSA-N

Data: 4 EC50

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 4 hits for monomerid = 307529   
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))
BDBM307529
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)CC(O)=O)cc1OC
Show InChI InChI=1S/C26H41N5O5/c1-5-8-20(11-13-32)29-25-22(18(3)28-26(27)30-25)15-19-9-10-21(16-23(19)35-4)36-14-7-12-31(6-2)17-24(33)34/h9-10,16,20,32H,5-8,11-15,17H2,1-4H3,(H,33,34)(H3,27,28,29,30)/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.60E+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)

More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM307529
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)CC(O)=O)cc1OC
Show InChI InChI=1S/C26H41N5O5/c1-5-8-20(11-13-32)29-25-22(18(3)28-26(27)30-25)15-19-9-10-21(16-23(19)35-4)36-14-7-12-31(6-2)17-24(33)34/h9-10,16,20,32H,5-8,11-15,17H2,1-4H3,(H,33,34)(H3,27,28,29,30)/t20-/m0/s1
PDB

UniProtKB/SwissProt

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)

More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM307529
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)CC(O)=O)cc1OC
Show InChI InChI=1S/C26H41N5O5/c1-5-8-20(11-13-32)29-25-22(18(3)28-26(27)30-25)15-19-9-10-21(16-23(19)35-4)36-14-7-12-31(6-2)17-24(33)34/h9-10,16,20,32H,5-8,11-15,17H2,1-4H3,(H,33,34)(H3,27,28,29,30)/t20-/m0/s1
PDB

UniProtKB/SwissProt

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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM307529
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)CC(O)=O)cc1OC
Show InChI InChI=1S/C26H41N5O5/c1-5-8-20(11-13-32)29-25-22(18(3)28-26(27)30-25)15-19-9-10-21(16-23(19)35-4)36-14-7-12-31(6-2)17-24(33)34/h9-10,16,20,32H,5-8,11-15,17H2,1-4H3,(H,33,34)(H3,27,28,29,30)/t20-/m0/s1
PDB

UniProtKB/SwissProt

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)

More data for this
Ligand-Target Pair