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BDBM8161 4-{6-methylpyrazolo[1,5-a]pyridazin-3-yl}-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine::pyrazolo[1,5-b]pyridazine deriv. 52

SMILES: Cc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1

InChI Key: InChIKey=LOAIUSJMQXSEBK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 8161   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8161
PNG
(4-{6-methylpyrazolo[1,5-a]pyridazin-3-yl}-N-[4-(tr...)
Show SMILES Cc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C18H13F3N6/c1-11-2-7-16-14(10-23-27(16)26-11)15-8-9-22-17(25-15)24-13-5-3-12(4-6-13)18(19,20)21/h2-10H,1H3,(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


J Med Chem 47: 4716-30 (2004)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2VM49HJ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM8161
PNG
(4-{6-methylpyrazolo[1,5-a]pyridazin-3-yl}-N-[4-(tr...)
Show SMILES Cc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C18H13F3N6/c1-11-2-7-16-14(10-23-27(16)26-11)15-8-9-22-17(25-15)24-13-5-3-12(4-6-13)18(19,20)21/h2-10H,1H3,(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 199n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


J Med Chem 47: 4716-30 (2004)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2VM49HJ
More data for this
Ligand-Target Pair