BindingDB logo
myBDB logout

BDBM50019461 (5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-(2-fluoro-phenyl)-methanone::CHEMBL284983

SMILES: Cc1nn(C)c(N)c1C(=O)c1ccccc1F

InChI Key: InChIKey=LMBRFPRUZRLJAW-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50019461   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50019461
PNG
((5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-(2-fluoro-p...)
Show SMILES Cc1nn(C)c(N)c1C(=O)c1ccccc1F
Show InChI InChI=1S/C12H12FN3O/c1-7-10(12(14)16(2)15-7)11(17)8-5-3-4-6-9(8)13/h3-6H,14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor using [3H]- CHA


J Med Chem 29: 1628-37 (1986)


Article DOI: 10.1021/jm00159a011
BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019461
PNG
((5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-(2-fluoro-p...)
Show SMILES Cc1nn(C)c(N)c1C(=O)c1ccccc1F
Show InChI InChI=1S/C12H12FN3O/c1-7-10(12(14)16(2)15-7)11(17)8-5-3-4-6-9(8)13/h3-6H,14H2,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- clonidine


J Med Chem 29: 1628-37 (1986)


Article DOI: 10.1021/jm00159a011
BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50019461
PNG
((5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-(2-fluoro-p...)
Show SMILES Cc1nn(C)c(N)c1C(=O)c1ccccc1F
Show InChI InChI=1S/C12H12FN3O/c1-7-10(12(14)16(2)15-7)11(17)8-5-3-4-6-9(8)13/h3-6H,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain using [3H]- QNB


J Med Chem 29: 1628-37 (1986)


Article DOI: 10.1021/jm00159a011
BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019461
PNG
((5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-(2-fluoro-p...)
Show SMILES Cc1nn(C)c(N)c1C(=O)c1ccccc1F
Show InChI InChI=1S/C12H12FN3O/c1-7-10(12(14)16(2)15-7)11(17)8-5-3-4-6-9(8)13/h3-6H,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]- WB-4101


J Med Chem 29: 1628-37 (1986)


Article DOI: 10.1021/jm00159a011
BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50019461
PNG
((5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-(2-fluoro-p...)
Show SMILES Cc1nn(C)c(N)c1C(=O)c1ccccc1F
Show InChI InChI=1S/C12H12FN3O/c1-7-10(12(14)16(2)15-7)11(17)8-5-3-4-6-9(8)13/h3-6H,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor in rat striatal membrane using [3H]haloperidol as radioligand


J Med Chem 29: 1628-37 (1986)


Article DOI: 10.1021/jm00159a011
BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair