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SMILES: CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1

InChI Key: InChIKey=UONTVBODKZAAKG-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50330265   
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/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50330265
PNG
(CHEMBL1271563 | [4-(5-Bromo-3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-13(15(17)22-21-14)12-4-7-18-16(20-12)19-11-5-8-23(3)9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,22)(H,18,19,20)
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MMDB

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Article
PubMed
n/an/a 76n/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/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50330265
PNG
(CHEMBL1271563 | [4-(5-Bromo-3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-13(15(17)22-21-14)12-4-7-18-16(20-12)19-11-5-8-23(3)9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,22)(H,18,19,20)
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Article
PubMed
n/an/a 1.72E+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 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50330265
PNG
(CHEMBL1271563 | [4-(5-Bromo-3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-13(15(17)22-21-14)12-4-7-18-16(20-12)19-11-5-8-23(3)9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,22)(H,18,19,20)
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Article
PubMed
n/an/a 231n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3 after 2 hrs 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-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50330265
PNG
(CHEMBL1271563 | [4-(5-Bromo-3-isopropyl-1H-pyrazol...)
Show SMILES CC(C)c1[nH]nc(Br)c1-c1ccnc(NC2CCN(C)CC2)n1
Show InChI InChI=1S/C16H23BrN6/c1-10(2)14-13(15(17)22-21-14)12-4-7-18-16(20-12)19-11-5-8-23(3)9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,22)(H,18,19,20)
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Article
PubMed
n/an/a 1.04E+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