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

InChI Key: InChIKey=HGRMYMRCAGWXEQ-SFHVURJKSA-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 = 50488804   
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))
BDBM50488804
PNG
(CHEMBL2295950)
Show SMILES CC(C)C[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C23H28N8O/c1-14(2)12-18(32)28-23-29-21(19-22(30-23)31(13-26-19)15(3)4)27-17-8-6-16(7-9-17)20-24-10-5-11-25-20/h5-11,13-15,18,32H,12H2,1-4H3,(H2,27,28,29,30)/t18-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
n/an/a 600n/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
Glycogen synthase kinase-3 beta/[Tau protein] kinase


(Sus scrofa)
BDBM50488804
PNG
(CHEMBL2295950)
Show SMILES CC(C)C[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C23H28N8O/c1-14(2)12-18(32)28-23-29-21(19-22(30-23)31(13-26-19)15(3)4)27-17-8-6-16(7-9-17)20-24-10-5-11-25-20/h5-11,13-15,18,32H,12H2,1-4H3,(H2,27,28,29,30)/t18-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 9.00E+3n/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
Casein kinase 1, delta tv1


(Sus scrofa)
BDBM50488804
PNG
(CHEMBL2295950)
Show SMILES CC(C)C[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C23H28N8O/c1-14(2)12-18(32)28-23-29-21(19-22(30-23)31(13-26-19)15(3)4)27-17-8-6-16(7-9-17)20-24-10-5-11-25-20/h5-11,13-15,18,32H,12H2,1-4H3,(H2,27,28,29,30)/t18-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2.30E+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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50488804
PNG
(CHEMBL2295950)
Show SMILES CC(C)C[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C23H28N8O/c1-14(2)12-18(32)28-23-29-21(19-22(30-23)31(13-26-19)15(3)4)27-17-8-6-16(7-9-17)20-24-10-5-11-25-20/h5-11,13-15,18,32H,12H2,1-4H3,(H2,27,28,29,30)/t18-/m0/s1
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PC sid
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Article
n/an/a 800n/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-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50488804
PNG
(CHEMBL2295950)
Show SMILES CC(C)C[C@H](O)Nc1nc(Nc2ccc(cc2)-c2ncccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C23H28N8O/c1-14(2)12-18(32)28-23-29-21(19-22(30-23)31(13-26-19)15(3)4)27-17-8-6-16(7-9-17)20-24-10-5-11-25-20/h5-11,13-15,18,32H,12H2,1-4H3,(H2,27,28,29,30)/t18-/m0/s1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
n/an/a 1.00E+3n/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