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BDBM50249645 CHEMBL4078859

SMILES: COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c23)nc1OC

InChI Key: InChIKey=TZAKGYMSVWIROS-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50249645   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50249645
PNG
(CHEMBL4078859)
Show SMILES COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c23)nc1OC
Show InChI InChI=1S/C19H21N7O3/c1-11-8-13(25-29-11)9-21-17-16-14(23-19(20)24-17)6-7-26(16)10-12-4-5-15(27-2)18(22-12)28-3/h4-8H,9-10H2,1-3H3,(H3,20,21,23,24)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Displacement of 3H-dofetilide from human ERG


J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50249645
PNG
(CHEMBL4078859)
Show SMILES COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c23)nc1OC
Show InChI InChI=1S/C19H21N7O3/c1-11-8-13(25-29-11)9-21-17-16-14(23-19(20)24-17)6-7-26(16)10-12-4-5-15(27-2)18(22-12)28-3/h4-8H,9-10H2,1-3H3,(H3,20,21,23,24)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.600n/an/an/an/a



Janssen Pharmaceutica , N. V. Turnhoutseweg 30, 2340 Beerse, Belgium.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo ...


J Med Chem 60: 6137-6151 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00365
BindingDB Entry DOI: 10.7270/Q2XP77CC
More data for this
Ligand-Target Pair