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BDBM50330274 (5-Piperazin-1-yl-pyridin-2-yl)-[4-(3-trifluoromethyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine::CHEMBL1271670

SMILES: FC(F)(F)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1

InChI Key: InChIKey=BKZPGXYNQVAVMA-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50330274   
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 4 (CDK4)


(Homo sapiens (Human))
BDBM50330274
PNG
((5-Piperazin-1-yl-pyridin-2-yl)-[4-(3-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C17H17F3N8/c18-17(19,20)15-12(10-24-27-15)13-3-4-22-16(25-13)26-14-2-1-11(9-23-14)28-7-5-21-6-8-28/h1-4,9-10,21H,5-8H2,(H,24,27)(H,22,23,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50330274
PNG
((5-Piperazin-1-yl-pyridin-2-yl)-[4-(3-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C17H17F3N8/c18-17(19,20)15-12(10-24-27-15)13-3-4-22-16(25-13)26-14-2-1-11(9-23-14)28-7-5-21-6-8-28/h1-4,9-10,21H,5-8H2,(H,24,27)(H,22,23,25,26)
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Article
PubMed
n/an/a 5.42E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50330274
PNG
((5-Piperazin-1-yl-pyridin-2-yl)-[4-(3-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C17H17F3N8/c18-17(19,20)15-12(10-24-27-15)13-3-4-22-16(25-13)26-14-2-1-11(9-23-14)28-7-5-21-6-8-28/h1-4,9-10,21H,5-8H2,(H,24,27)(H,22,23,25,26)
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antibodypedia
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay


J Med Chem 53: 7938-57 (2010)


Article DOI: 10.1021/jm100571n
BindingDB Entry DOI: 10.7270/Q2T72HQV
More data for this
Ligand-Target Pair