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BDBM26257 N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydroxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide::pyrazolylpyrimidine derivative, 16k

SMILES: CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1

InChI Key: InChIKey=NOMOVVSYFDZGOW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 26257   
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 A1


(Homo sapiens (human))
BDBM26257
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydrox...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1
Show InChI InChI=1S/C21H25N7O2/c1-13-11-14(2)28(26-13)21-24-18(12-19(25-21)22-15(3)29)17-5-4-6-20(23-17)27-9-7-16(30)8-10-27/h4-6,11-12,16,30H,7-10H2,1-3H3,(H,22,24,25,29)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
470n/an/an/an/an/an/an/an/a



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM26257
PNG
(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydrox...)
Show SMILES CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1
Show InChI InChI=1S/C21H25N7O2/c1-13-11-14(2)28(26-13)21-24-18(12-19(25-21)22-15(3)29)17-5-4-6-20(23-17)27-9-7-16(30)8-10-27/h4-6,11-12,16,30H,7-10H2,1-3H3,(H,22,24,25,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90 -11.8n/an/an/an/an/a7.422



Neurocrine Bioscience



Assay Description
The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the pre...


J Med Chem 51: 7099-7110 (2008)


Article DOI: 10.1021/jm800851u
BindingDB Entry DOI: 10.7270/Q20R9MQG
More data for this
Ligand-Target Pair