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BDBM50104334 1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester::CHEMBL432950::ethyl 1-(2-chloro-2-phenylethyl)-4-(phenethylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1

InChI Key: InChIKey=HIQBGSUBPJSVCZ-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 = 50104334   
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)
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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50n/an/an/an/an/an/an/an/a



Facoltà di Farmacia dell'Università degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from Adenosine A1 receptor in bovine cortical membrane expressed as Ki


Bioorg Med Chem Lett 11: 2529-31 (2001)


BindingDB Entry DOI: 10.7270/Q2K35SZW
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity against bovine Adenosine A1 receptor


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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56n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes with 1 mM GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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69.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes without GTP


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50104334
PNG
(1-(2-Chloro-2-phenyl-ethyl)-4-phenethylamino-1H-py...)
Show SMILES CCOC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccccc1
Show InChI InChI=1S/C25H25ClN4O2/c1-2-32-25(31)21-15-28-24-20(23(21)27-14-13-18-9-5-3-6-10-18)16-29-30(24)17-22(26)19-11-7-4-8-12-19/h3-12,15-16,22H,2,13-14,17H2,1H3,(H,27,28)
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73n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Binding affinity against rat Adenosine A1 receptor


J Med Chem 45: 4875-87 (2002)


BindingDB Entry DOI: 10.7270/Q2N87BHS
More data for this
Ligand-Target Pair