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BDBM7114 3-Aminopyrazole deriv. 27::N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-2,3-dihydro-1H-imidazol-1-yl)phenyl]propanamide

SMILES: CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc[nH]c1=O

InChI Key: InChIKey=IOOBSCBCJCFBKU-UHFFFAOYNA-N

Data: 1 IC50

PDB links: 1 PDB ID matches 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 = 7114   
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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7114
PNG
(3-Aminopyrazole deriv. 27 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc[nH]c1=O
Show InChI InChI=1/C18H19N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-11,13H,2-3H2,1H3,(H,19,25)(H2,20,21,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)