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SMILES: CC(C)C(O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=FHDFIUFWMGMGTR-UHFFFAOYSA-N

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 = 50488818   
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))
BDBM50488818
PNG
(CHEMBL2295958)
Show SMILES CC(C)C(O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C22H26N8O/c1-13(2)21(31)29-22-27-19(18-20(28-22)30(12-25-18)14(3)4)26-17-7-5-15(6-8-17)16-9-23-11-24-10-16/h5-14,21,31H,1-4H3,(H2,26,27,28,29)
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PC cid
PC sid
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Article
n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CDK2/cyclin A using histone H1 and [gamma33P]ATP as substrate after 30 min by scintillation counting


Citation and Details

Article DOI: 10.1007/s00044-012-0334-1
BindingDB Entry DOI: 10.7270/Q2ZP490F
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50488818
PNG
(CHEMBL2295958)
Show SMILES CC(C)C(O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C22H26N8O/c1-13(2)21(31)29-22-27-19(18-20(28-22)30(12-25-18)14(3)4)26-17-7-5-15(6-8-17)16-9-23-11-24-10-16/h5-14,21,31H,1-4H3,(H2,26,27,28,29)
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n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 and [gamma33P]ATP as substrate after 30 min by scintillation counting


Citation and Details

Article DOI: 10.1007/s00044-012-0334-1
BindingDB Entry DOI: 10.7270/Q2ZP490F
More data for this
Ligand-Target Pair
Casein kinase 1, delta tv1


(Sus scrofa)
BDBM50488818
PNG
(CHEMBL2295958)
Show SMILES CC(C)C(O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C22H26N8O/c1-13(2)21(31)29-22-27-19(18-20(28-22)30(12-25-18)14(3)4)26-17-7-5-15(6-8-17)16-9-23-11-24-10-16/h5-14,21,31H,1-4H3,(H2,26,27,28,29)
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Sus scrofa (pig) casein kinase 1delta/epsilon isolated from brain using RRKHAAIGpSAYSITA and [gamma33P]ATP as substrate after 30 min by...


Citation and Details

Article DOI: 10.1007/s00044-012-0334-1
BindingDB Entry DOI: 10.7270/Q2ZP490F
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50488818
PNG
(CHEMBL2295958)
Show SMILES CC(C)C(O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C22H26N8O/c1-13(2)21(31)29-22-27-19(18-20(28-22)30(12-25-18)14(3)4)26-17-7-5-15(6-8-17)16-9-23-11-24-10-16/h5-14,21,31H,1-4H3,(H2,26,27,28,29)
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
Article
n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Sus scrofa (pig) glycogen synthase kinase 3alpha/beta isolated from brain using YRRAAVPPSPSLSRHSSPHQpSEDEEE and [gamma33P]ATP as substr...


Citation and Details

Article DOI: 10.1007/s00044-012-0334-1
BindingDB Entry DOI: 10.7270/Q2ZP490F
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50488818
PNG
(CHEMBL2295958)
Show SMILES CC(C)C(O)Nc1nc(Nc2ccc(cc2)-c2cncnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C22H26N8O/c1-13(2)21(31)29-22-27-19(18-20(28-22)30(12-25-18)14(3)4)26-17-7-5-15(6-8-17)16-9-23-11-24-10-16/h5-14,21,31H,1-4H3,(H2,26,27,28,29)
PDB
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UniChem
Article
n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ and [gamma33P]ATP as substrate af...


Citation and Details

Article DOI: 10.1007/s00044-012-0334-1
BindingDB Entry DOI: 10.7270/Q2ZP490F
More data for this
Ligand-Target Pair