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BDBM307526 (S)-2-(N-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxybenzyl)acetamido)acetic acid::US10150743, Example 7::US10562861, Ex. No. 7

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

InChI Key: InChIKey=FIMNMHMOKYVGGK-IBGZPJMESA-N

Data: 1 IC50  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 5 hits for monomerid = 307526   
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))
BDBM307526
PNG
((S)-2-(N-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)C(C)=O)cc1OC |r|
Show InChI InChI=1S/C24H35N5O5/c1-5-6-19(9-10-30)27-23-20(15(2)26-24(25)28-23)12-18-8-7-17(11-21(18)34-4)13-29(16(3)31)14-22(32)33/h7-8,11,19,30H,5-6,9-10,12-14H2,1-4H3,(H,32,33)(H3,25,26,27,28)/t19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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)


BindingDB Entry DOI: 10.7270/Q2MW2K6N
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM307526
PNG
((S)-2-(N-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)C(C)=O)cc1OC |r|
Show InChI InChI=1S/C24H35N5O5/c1-5-6-19(9-10-30)27-23-20(15(2)26-24(25)28-23)12-18-8-7-17(11-21(18)34-4)13-29(16(3)31)14-22(32)33/h7-8,11,19,30H,5-6,9-10,12-14H2,1-4H3,(H,32,33)(H3,25,26,27,28)/t19-/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
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM307526
PNG
((S)-2-(N-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)C(C)=O)cc1OC |r|
Show InChI InChI=1S/C24H35N5O5/c1-5-6-19(9-10-30)27-23-20(15(2)26-24(25)28-23)12-18-8-7-17(11-21(18)34-4)13-29(16(3)31)14-22(32)33/h7-8,11,19,30H,5-6,9-10,12-14H2,1-4H3,(H,32,33)(H3,25,26,27,28)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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))
BDBM307526
PNG
((S)-2-(N-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)C(C)=O)cc1OC |r|
Show InChI InChI=1S/C24H35N5O5/c1-5-6-19(9-10-30)27-23-20(15(2)26-24(25)28-23)12-18-8-7-17(11-21(18)34-4)13-29(16(3)31)14-22(32)33/h7-8,11,19,30H,5-6,9-10,12-14H2,1-4H3,(H,32,33)(H3,25,26,27,28)/t19-/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))
BDBM307526
PNG
((S)-2-(N-(4-((2-amino-4-(1-hydroxyhexan-3-ylamino)...)
Show SMILES CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(O)=O)C(C)=O)cc1OC |r|
Show InChI InChI=1S/C24H35N5O5/c1-5-6-19(9-10-30)27-23-20(15(2)26-24(25)28-23)12-18-8-7-17(11-21(18)34-4)13-29(16(3)31)14-22(32)33/h7-8,11,19,30H,5-6,9-10,12-14H2,1-4H3,(H,32,33)(H3,25,26,27,28)/t19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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