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BDBM50440135 CHEMBL2426395

SMILES: COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1

InChI Key: InChIKey=YECDMWPRVSKSOX-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50440135   
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 7


(Homo sapiens (Human))
BDBM50440135
PNG
(CHEMBL2426395)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-20-12-8-17(9-13-20)23-22(16-29(28-23)19-6-4-3-5-7-19)24(30)27-25(33)26-18-10-14-21(32-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,33)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50440135
PNG
(CHEMBL2426395)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-20-12-8-17(9-13-20)23-22(16-29(28-23)19-6-4-3-5-7-19)24(30)27-25(33)26-18-10-14-21(32-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,33)
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PC sid
UniChem

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Article
PubMed
n/an/a 522n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent-like kinase 5


(Homo sapiens (Human))
BDBM50440135
PNG
(CHEMBL2426395)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-20-12-8-17(9-13-20)23-22(16-29(28-23)19-6-4-3-5-7-19)24(30)27-25(33)26-18-10-14-21(32-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,33)
PDB
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NCI pathway
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KEGG

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PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50440135
PNG
(CHEMBL2426395)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-20-12-8-17(9-13-20)23-22(16-29(28-23)19-6-4-3-5-7-19)24(30)27-25(33)26-18-10-14-21(32-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,33)
PDB
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NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair