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BDBM50095377 5-Cyclopentyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine::CHEMBL366974

SMILES: Nc1ncnc2nc(cc(C3CCCC3)c12)-c1ccc(nc1)N1CCOCC1

InChI Key: InChIKey=OGVLWYXNJLXFRD-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50095377   
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 Kinase (AK)


(Rattus norvegicus (rat))
BDBM50095377
PNG
(5-Cyclopentyl-7-(6-morpholin-4-yl-pyridin-3-yl)-py...)
Show SMILES Nc1ncnc2nc(cc(C3CCCC3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H24N6O/c22-20-19-16(14-3-1-2-4-14)11-17(26-21(19)25-13-24-20)15-5-6-18(23-12-15)27-7-9-28-10-8-27/h5-6,11-14H,1-4,7-10H2,(H2,22,24,25,26)
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PC cid
PC sid
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Patents


Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50095377
PNG
(5-Cyclopentyl-7-(6-morpholin-4-yl-pyridin-3-yl)-py...)
Show SMILES Nc1ncnc2nc(cc(C3CCCC3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C21H24N6O/c22-20-19-16(14-3-1-2-4-14)11-17(26-21(19)25-13-24-20)15-5-6-18(23-12-15)27-7-9-28-10-8-27/h5-6,11-14H,1-4,7-10H2,(H2,22,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay


Citation and Details
More data for this
Ligand-Target Pair