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SMILES: CCC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=PBTNYNHOVGFGNO-KRWDZBQOSA-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 6 hits for monomerid = 50488803   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50488803
PNG
(CHEMBL2295948)
Show SMILES CCC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C22H26N8O/c1-4-6-17(31)27-22-28-20(18-21(29-22)30(13-25-18)14(2)3)26-16-9-7-15(8-10-16)19-23-11-5-12-24-19/h5,7-14,17,31H,4,6H2,1-3H3,(H2,26,27,28,29)/t17-/m0/s1
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PC sid
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Article
n/an/a 650n/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
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50488803
PNG
(CHEMBL2295948)
Show SMILES CCC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C22H26N8O/c1-4-6-17(31)27-22-28-20(18-21(29-22)30(13-25-18)14(2)3)26-16-9-7-15(8-10-16)19-23-11-5-12-24-19/h5,7-14,17,31H,4,6H2,1-3H3,(H2,26,27,28,29)/t17-/m0/s1
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PC sid
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Article
n/an/a 350n/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
Casein kinase 1, delta tv1


(Sus scrofa)
BDBM50488803
PNG
(CHEMBL2295948)
Show SMILES CCC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C22H26N8O/c1-4-6-17(31)27-22-28-20(18-21(29-22)30(13-25-18)14(2)3)26-16-9-7-15(8-10-16)19-23-11-5-12-24-19/h5,7-14,17,31H,4,6H2,1-3H3,(H2,26,27,28,29)/t17-/m0/s1
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PC cid
PC sid
UniChem
Article
n/an/a 1.70E+3n/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
G2/mitotic-specific cyclin-B


(Asterina pectinifera)
BDBM50488803
PNG
(CHEMBL2295948)
Show SMILES CCC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C22H26N8O/c1-4-6-17(31)27-22-28-20(18-21(29-22)30(13-25-18)14(2)3)26-16-9-7-15(8-10-16)19-23-11-5-12-24-19/h5,7-14,17,31H,4,6H2,1-3H3,(H2,26,27,28,29)/t17-/m0/s1
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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Asteroidea (starfish) Cyclin-dependent kinase 1/cyclin B isolated from oocyte using histone H1 and [gamma33P]ATP as substrate after 30 ...


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)
BDBM50488803
PNG
(CHEMBL2295948)
Show SMILES CCC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C22H26N8O/c1-4-6-17(31)27-22-28-20(18-21(29-22)30(13-25-18)14(2)3)26-16-9-7-15(8-10-16)19-23-11-5-12-24-19/h5,7-14,17,31H,4,6H2,1-3H3,(H2,26,27,28,29)/t17-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a>1.00E+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
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50488803
PNG
(CHEMBL2295948)
Show SMILES CCC[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C22H26N8O/c1-4-6-17(31)27-22-28-20(18-21(29-22)30(13-25-18)14(2)3)26-16-9-7-15(8-10-16)19-23-11-5-12-24-19/h5,7-14,17,31H,4,6H2,1-3H3,(H2,26,27,28,29)/t17-/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
n/an/a 270n/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