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BDBM50176844 CHEMBL389405::isopropyl 1-(2-chloro-2-phenylethyl)-4-(propylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

SMILES: CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)C

InChI Key: InChIKey=JBUPWXCSOPLLNN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50176844   
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)
BDBM50176844
PNG
(CHEMBL389405 | isopropyl 1-(2-chloro-2-phenylethyl...)
Show SMILES CCCNc1c(cnc2n(CC(Cl)c3ccccc3)ncc12)C(=O)OC(C)C
Show InChI InChI=1S/C21H25ClN4O2/c1-4-10-23-19-16-12-25-26(13-18(22)15-8-6-5-7-9-15)20(16)24-11-17(19)21(27)28-14(2)3/h5-9,11-12,14,18H,4,10,13H2,1-3H3,(H,23,24)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair