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BDBM12098 3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 16::N-butyl-3-[2-(naphthalen-2-yl)acetamido]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide

SMILES: CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1

InChI Key: InChIKey=GRIBJJIZUIEJFG-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 12098   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM12098
PNG
(3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...)
Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1
Show InChI InChI=1S/C22H25N5O2/c1-2-3-10-23-22(29)27-13-18-19(14-27)25-26-21(18)24-20(28)12-15-8-9-16-6-4-5-7-17(16)11-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,29)(H2,24,25,26,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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


Bioorg Med Chem Lett 16: 1084-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.071
BindingDB Entry DOI: 10.7270/Q2PZ5725
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM12098
PNG
(3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...)
Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1
Show InChI InChI=1S/C22H25N5O2/c1-2-3-10-23-22(29)27-13-18-19(14-27)25-26-21(18)24-20(28)12-15-8-9-16-6-4-5-7-17(16)11-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,29)(H2,24,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/an/an/an/a7.422



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...


Bioorg Med Chem Lett 16: 1084-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.071
BindingDB Entry DOI: 10.7270/Q2PZ5725
More data for this
Ligand-Target Pair