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BDBM50147869 CHEMBL104998::N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide

SMILES: CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1

InChI Key: InChIKey=JYIITCYTXQXDCX-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50147869   
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)
BDBM50147869
PNG
(CHEMBL104998 | N-[4-(4-Hydroxy-7-methyl-[1,8]napht...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22)
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1n/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 A1 receptor


(BOVINE)
BDBM50147869
PNG
(CHEMBL104998 | N-[4-(4-Hydroxy-7-methyl-[1,8]napht...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22)
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1.67n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from adenosine A1 receptor in bovine brain cortical membranes


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))
BDBM50147869
PNG
(CHEMBL104998 | N-[4-(4-Hydroxy-7-methyl-[1,8]napht...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22)
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1.46E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from adenosine A1 receptor in human brain cortical membranes


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 A2


(Homo sapiens (Human))
BDBM50147869
PNG
(CHEMBL104998 | N-[4-(4-Hydroxy-7-methyl-[1,8]napht...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22)
PDB
MMDB

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1.60E+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))
BDBM50147869
PNG
(CHEMBL104998 | N-[4-(4-Hydroxy-7-methyl-[1,8]napht...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22)
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UniChem
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2.00E+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 A2


(Homo sapiens (Human))
BDBM50147869
PNG
(CHEMBL104998 | N-[4-(4-Hydroxy-7-methyl-[1,8]napht...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C17H15N3O2/c1-10-3-8-14-16(22)9-15(20-17(14)18-10)12-4-6-13(7-5-12)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,18,20,22)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
2.30E+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