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BDBM50147859 7-(cyclohexylamino)-2-phenyl-1,8-naphthyridin-4-ol::7-Cyclohexylamino-2-phenyl-[1,8]naphthyridin-4-ol::CHEMBL418797

SMILES: Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1

InChI Key: InChIKey=ZDODJZMITPPZHF-UHFFFAOYSA-N

Data: 4 KI

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 = 50147859   
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
Adenosine A1 receptor


(BOVINE)
BDBM50147859
PNG
(7-(cyclohexylamino)-2-phenyl-1,8-naphthyridin-4-ol...)
Show SMILES Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24)
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PC sid
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Article
PubMed
70n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in bovine cortical membranes using [3H]-CHA as radioligand


J Med Chem 47: 3019-31 (2004)


Article DOI: 10.1021/jm030977p
BindingDB Entry DOI: 10.7270/Q2BC3Z07
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50147859
PNG
(7-(cyclohexylamino)-2-phenyl-1,8-naphthyridin-4-ol...)
Show SMILES Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24)
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Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in human striatal membranes using [3H]-CGS-21,680 as radioligand


J Med Chem 47: 3019-31 (2004)


Article DOI: 10.1021/jm030977p
BindingDB Entry DOI: 10.7270/Q2BC3Z07
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50147859
PNG
(7-(cyclohexylamino)-2-phenyl-1,8-naphthyridin-4-ol...)
Show SMILES Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24)
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Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in human cortical membranes using [3H]-CHA as radioligand


J Med Chem 47: 3019-31 (2004)


Article DOI: 10.1021/jm030977p
BindingDB Entry DOI: 10.7270/Q2BC3Z07
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50147859
PNG
(7-(cyclohexylamino)-2-phenyl-1,8-naphthyridin-4-ol...)
Show SMILES Oc1cc(nc2nc(NC3CCCCC3)ccc12)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-18-13-17(14-7-3-1-4-8-14)22-20-16(18)11-12-19(23-20)21-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15H,2,5-6,9-10H2,(H2,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in bovine striatal membranes using [3H]-CGS-21,680 as radioligand


J Med Chem 47: 3019-31 (2004)


Article DOI: 10.1021/jm030977p
BindingDB Entry DOI: 10.7270/Q2BC3Z07
More data for this
Ligand-Target Pair