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SMILES: Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12

InChI Key:

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 = 50560350   
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


(Mus musculus)
BDBM50560350
PNG
(CHEMBL4783510)
Show SMILES Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,wD:13.13,(12.65,-25.23,;12.18,-26.7,;13.1,-27.94,;12.2,-29.19,;12.68,-30.66,;11.65,-31.8,;12.14,-33.26,;13.65,-33.57,;14.13,-35.03,;15.64,-35.34,;16.13,-36.8,;17.64,-37.1,;18.12,-38.57,;17.09,-39.72,;17.57,-41.18,;15.58,-39.4,;15.1,-37.94,;14.67,-32.41,;16.18,-32.72,;14.18,-30.95,;10.73,-28.73,;9.39,-29.51,;8.05,-28.73,;8.05,-27.19,;6.72,-26.42,;9.38,-26.42,;10.72,-27.18,)|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 110n/an/an/an/an/an/a


TBA



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


(Mus musculus)
BDBM50560350
PNG
(CHEMBL4783510)
Show SMILES Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,wD:13.13,(12.65,-25.23,;12.18,-26.7,;13.1,-27.94,;12.2,-29.19,;12.68,-30.66,;11.65,-31.8,;12.14,-33.26,;13.65,-33.57,;14.13,-35.03,;15.64,-35.34,;16.13,-36.8,;17.64,-37.1,;18.12,-38.57,;17.09,-39.72,;17.57,-41.18,;15.58,-39.4,;15.1,-37.94,;14.67,-32.41,;16.18,-32.72,;14.18,-30.95,;10.73,-28.73,;9.39,-29.51,;8.05,-28.73,;8.05,-27.19,;6.72,-26.42,;9.38,-26.42,;10.72,-27.18,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.90E+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))
BDBM50560350
PNG
(CHEMBL4783510)
Show SMILES Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,wD:13.13,(12.65,-25.23,;12.18,-26.7,;13.1,-27.94,;12.2,-29.19,;12.68,-30.66,;11.65,-31.8,;12.14,-33.26,;13.65,-33.57,;14.13,-35.03,;15.64,-35.34,;16.13,-36.8,;17.64,-37.1,;18.12,-38.57,;17.09,-39.72,;17.57,-41.18,;15.58,-39.4,;15.1,-37.94,;14.67,-32.41,;16.18,-32.72,;14.18,-30.95,;10.73,-28.73,;9.39,-29.51,;8.05,-28.73,;8.05,-27.19,;6.72,-26.42,;9.38,-26.42,;10.72,-27.18,)|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50560350
PNG
(CHEMBL4783510)
Show SMILES Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,wD:13.13,(12.65,-25.23,;12.18,-26.7,;13.1,-27.94,;12.2,-29.19,;12.68,-30.66,;11.65,-31.8,;12.14,-33.26,;13.65,-33.57,;14.13,-35.03,;15.64,-35.34,;16.13,-36.8,;17.64,-37.1,;18.12,-38.57,;17.09,-39.72,;17.57,-41.18,;15.58,-39.4,;15.1,-37.94,;14.67,-32.41,;16.18,-32.72,;14.18,-30.95,;10.73,-28.73,;9.39,-29.51,;8.05,-28.73,;8.05,-27.19,;6.72,-26.42,;9.38,-26.42,;10.72,-27.18,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50560350
PNG
(CHEMBL4783510)
Show SMILES Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,wD:13.13,(12.65,-25.23,;12.18,-26.7,;13.1,-27.94,;12.2,-29.19,;12.68,-30.66,;11.65,-31.8,;12.14,-33.26,;13.65,-33.57,;14.13,-35.03,;15.64,-35.34,;16.13,-36.8,;17.64,-37.1,;18.12,-38.57,;17.09,-39.72,;17.57,-41.18,;15.58,-39.4,;15.1,-37.94,;14.67,-32.41,;16.18,-32.72,;14.18,-30.95,;10.73,-28.73,;9.39,-29.51,;8.05,-28.73,;8.05,-27.19,;6.72,-26.42,;9.38,-26.42,;10.72,-27.18,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair