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BDBM50431288 CHEMBL2347584

SMILES: CC(C)CNc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=TVPWWXIFYWANPJ-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50431288   
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))
BDBM50431288
PNG
(CHEMBL2347584)
Show SMILES CC(C)CNc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-12(2)9-21-19-23-17(20-10-14-7-5-6-8-15(14)26)16-18(24-19)25(11-22-16)13(3)4/h5-8,11-13,26H,9-10H2,1-4H3,(H2,20,21,23,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.36E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50431288
PNG
(CHEMBL2347584)
Show SMILES CC(C)CNc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-12(2)9-21-19-23-17(20-10-14-7-5-6-8-15(14)26)16-18(24-19)25(11-22-16)13(3)4/h5-8,11-13,26H,9-10H2,1-4H3,(H2,20,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.13E+3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate


Eur J Med Chem 61: 61-72 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7
More data for this
Ligand-Target Pair