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BDBM50329367 2-(3-cyanobenzamido)-N-isopropyl-3-(3-methoxypropyl)-N-methyl-3H-imidazo[4,5-b]pyridine-5-carboxamide::CHEMBL1270115

SMILES: COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2ccc(nc12)C(=O)N(C)C(C)C

InChI Key: InChIKey=PMUOHBSREMELBN-UHFFFAOYSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50329367   
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 A2a


(Homo sapiens (Human))
BDBM50329367
PNG
(2-(3-cyanobenzamido)-N-isopropyl-3-(3-methoxypropy...)
Show SMILES COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2ccc(nc12)C(=O)N(C)C(C)C
Show InChI InChI=1S/C23H26N6O3/c1-15(2)28(3)22(31)19-10-9-18-20(25-19)29(11-6-12-32-4)23(26-18)27-21(30)17-8-5-7-16(13-17)14-24/h5,7-10,13,15H,6,11-12H2,1-4H3,(H,26,27,30)
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MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH58261 from human recombinant A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 6845-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.064
BindingDB Entry DOI: 10.7270/Q2NS0V4K
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50329367
PNG
(2-(3-cyanobenzamido)-N-isopropyl-3-(3-methoxypropy...)
Show SMILES COCCCn1c(NC(=O)c2cccc(c2)C#N)nc2ccc(nc12)C(=O)N(C)C(C)C
Show InChI InChI=1S/C23H26N6O3/c1-15(2)28(3)22(31)19-10-9-18-20(25-19)29(11-6-12-32-4)23(26-18)27-21(30)17-8-5-7-16(13-17)14-24/h5,7-10,13,15H,6,11-12H2,1-4H3,(H,26,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat A2A receptor by cAMP functional assay


Bioorg Med Chem Lett 20: 6845-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.064
BindingDB Entry DOI: 10.7270/Q2NS0V4K
More data for this
Ligand-Target Pair