BindingDB logo
myBDB logout

BDBM50157672 CHEMBL222474::N-(2,6-diphenylpyrimidin-4-yl)propionamide

SMILES: CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=GFLZXPLJINFGKI-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50157672   
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))
BDBM50157672
PNG
(CHEMBL222474 | N-(2,6-diphenylpyrimidin-4-yl)propi...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50157672
PNG
(CHEMBL222474 | N-(2,6-diphenylpyrimidin-4-yl)propi...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157672
PNG
(CHEMBL222474 | N-(2,6-diphenylpyrimidin-4-yl)propi...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.3n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50157672
PNG
(CHEMBL222474 | N-(2,6-diphenylpyrimidin-4-yl)propi...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45.5n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50157672
PNG
(CHEMBL222474 | N-(2,6-diphenylpyrimidin-4-yl)propi...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
76.6n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50157672
PNG
(CHEMBL222474 | N-(2,6-diphenylpyrimidin-4-yl)propi...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50157672
PNG
(CHEMBL222474 | N-(2,6-diphenylpyrimidin-4-yl)propi...)
Show SMILES CCC(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-2-18(23)21-17-13-16(14-9-5-3-6-10-14)20-19(22-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
84.5n/an/an/an/an/an/an/an/a



University of Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting


J Med Chem 54: 457-71 (2011)


Article DOI: 10.1021/jm100843z
BindingDB Entry DOI: 10.7270/Q28P60SK
More data for this
Ligand-Target Pair