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BDBM50097446 4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide::CHEMBL62075

SMILES: COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1

InChI Key: InChIKey=MJZBWCOZBVDNSM-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50097446   
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 receptor A3


(Homo sapiens (human))
BDBM50097446
PNG
(4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide ...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB MECA from human Adenosine A3 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 11: 2017-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00356-0
BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50097446
PNG
(4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide ...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
Reactome pathway
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PC sid
UniChem

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Article
PubMed
79n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50097446
PNG
(4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide ...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
PDB

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Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50097446
PNG
(4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide ...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane


Bioorg Med Chem Lett 11: 2017-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00356-0
BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair