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SMILES: CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1C

InChI Key: InChIKey=DEQNZPVZBGIKEZ-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50330270   
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-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50330270
PNG
(CHEMBL1271509 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-5...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1C
Show InChI InChI=1S/C17H26N6/c1-11(2)15-14(10-19-22-15)16-12(3)9-18-17(21-16)20-13-5-7-23(4)8-6-13/h9-11,13H,5-8H2,1-4H3,(H,19,22)(H,18,20,21)
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Article
PubMed
n/an/a 4.18E+3n/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
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50330270
PNG
(CHEMBL1271509 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-5...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1C
Show InChI InChI=1S/C17H26N6/c1-11(2)15-14(10-19-22-15)16-12(3)9-18-17(21-16)20-13-5-7-23(4)8-6-13/h9-11,13H,5-8H2,1-4H3,(H,19,22)(H,18,20,21)
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Article
PubMed
n/an/a 3.03E+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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50330270
PNG
(CHEMBL1271509 | [4-(3-Isopropyl-1H-pyrazol-4-yl)-5...)
Show SMILES CC(C)c1[nH]ncc1-c1nc(NC2CCN(C)CC2)ncc1C
Show InChI InChI=1S/C17H26N6/c1-11(2)15-14(10-19-22-15)16-12(3)9-18-17(21-16)20-13-5-7-23(4)8-6-13/h9-11,13H,5-8H2,1-4H3,(H,19,22)(H,18,20,21)
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 130n/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