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SMILES: COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=VZOPUGYTOGUQJR-UHFFFAOYSA-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 3 hits for monomerid = 50467771   
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))
BDBM50467771
PNG
(CHEMBL4291815)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H40N6O2/c1-32(2)29-30-25-21-27(37-19-9-14-33-12-7-8-13-33)26(36-3)20-24(25)28(31-29)35-17-15-34(16-18-35)22-23-10-5-4-6-11-23/h4-6,10-11,20-21H,7-9,12-19,22H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as reduction in CL264-induced NF-kappaB levels after 24 hrs by spectrophotomet...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50467771
PNG
(CHEMBL4291815)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H40N6O2/c1-32(2)29-30-25-21-27(37-19-9-14-33-12-7-8-13-33)26(36-3)20-24(25)28(31-29)35-17-15-34(16-18-35)22-23-10-5-4-6-11-23/h4-6,10-11,20-21H,7-9,12-19,22H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM50467771
PNG
(CHEMBL4291815)
Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H40N6O2/c1-32(2)29-30-25-21-27(37-19-9-14-33-12-7-8-13-33)26(36-3)20-24(25)28(31-29)35-17-15-34(16-18-35)22-23-10-5-4-6-11-23/h4-6,10-11,20-21H,7-9,12-19,22H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...


Eur J Med Chem 159: 187-205 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.058
BindingDB Entry DOI: 10.7270/Q2C2504D
More data for this
Ligand-Target Pair