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BDBM27217 (2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol::GP0210::pyrazolo[1,5-a]-1,3,5-triazine, 7a

SMILES: CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1

InChI Key: InChIKey=SQUNOCMDMIQIQK-OAHLLOKOSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 27217   
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 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM27217
PNG
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
UniProtKB/SwissProt

GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 73n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM27217
PNG
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 40n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM27217
PNG
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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PC cid
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PDB
UniChem

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Article
PubMed
n/an/a 43n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM27217
PNG
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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Article
PubMed
n/an/a 500n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM27217
PNG
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
PDB
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NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair