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BDBM50420300 CHEMBL2089035

SMILES: CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12

InChI Key: InChIKey=RURHVWQWTJYUPS-IBGZPJMESA-N

Data: 4 IC50

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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 = 50420300   
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 5 (CDK5)


(Homo sapiens (human))
BDBM50420300
PNG
(CHEMBL2089035)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12
Show InChI InChI=1S/C24H29N7O2/c1-16(2)31-15-28-21-22(29-24(30-23(21)31)26-12-10-19(33)14-32)27-13-17-6-8-18(9-7-17)20-5-3-4-11-25-20/h3-9,11,15-16,19,32-33H,10,12-14H2,1-2H3,(H2,26,27,29,30)/t19-/m0/s1
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PubMed
n/an/a 820n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 expressed in Escherichia coli


Eur J Med Chem 56: 210-216 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.033
BindingDB Entry DOI: 10.7270/Q2ST7R34
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM50420300
PNG
(CHEMBL2089035)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12
Show InChI InChI=1S/C24H29N7O2/c1-16(2)31-15-28-21-22(29-24(30-23(21)31)26-12-10-19(33)14-32)27-13-17-6-8-18(9-7-17)20-5-3-4-11-25-20/h3-9,11,15-16,19,32-33H,10,12-14H2,1-2H3,(H2,26,27,29,30)/t19-/m0/s1
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PubMed
n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli after 30 mins by liquid scintillation counter


Eur J Med Chem 56: 210-216 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.033
BindingDB Entry DOI: 10.7270/Q2ST7R34
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50420300
PNG
(CHEMBL2089035)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12
Show InChI InChI=1S/C24H29N7O2/c1-16(2)31-15-28-21-22(29-24(30-23(21)31)26-12-10-19(33)14-32)27-13-17-6-8-18(9-7-17)20-5-3-4-11-25-20/h3-9,11,15-16,19,32-33H,10,12-14H2,1-2H3,(H2,26,27,29,30)/t19-/m0/s1
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PubMed
n/an/a 660n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 after 30 mins by liquid scintillation counter


Eur J Med Chem 56: 210-216 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.033
BindingDB Entry DOI: 10.7270/Q2ST7R34
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50420300
PNG
(CHEMBL2089035)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC[C@H](O)CO)nc12
Show InChI InChI=1S/C24H29N7O2/c1-16(2)31-15-28-21-22(29-24(30-23(21)31)26-12-10-19(33)14-32)27-13-17-6-8-18(9-7-17)20-5-3-4-11-25-20/h3-9,11,15-16,19,32-33H,10,12-14H2,1-2H3,(H2,26,27,29,30)/t19-/m0/s1
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PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in baculovirus-infected insect cells


Eur J Med Chem 56: 210-216 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.033
BindingDB Entry DOI: 10.7270/Q2ST7R34
More data for this
Ligand-Target Pair