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BDBM15714 (5-Amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone::4-benzoyl-1-phenyl-1H-pyrazol-5-amine::4-benzoyl-5-aminopyrazole 1

SMILES: Nc1c(cnn1-c1ccccc1)C(=O)c1ccccc1

InChI Key: InChIKey=YMGWYPXWGVJIAJ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 1 hit for monomerid = 15714   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15714
PNG
((5-Amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone ...)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O/c17-16-14(15(20)12-7-3-1-4-8-12)11-18-19(16)13-9-5-2-6-10-13/h1-11H,17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/a7.430



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...


J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair