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BDBM50440136 CHEMBL2426391

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

InChI Key: InChIKey=OQEFZDKDXVHSRX-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 = 50440136   
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))
BDBM50440136
PNG
(CHEMBL2426391)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.64E+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))
BDBM50440136
PNG
(CHEMBL2426391)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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UniChem

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Article
PubMed
n/an/a 569n/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))
BDBM50440136
PNG
(CHEMBL2426391)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
PDB
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NCI pathway
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KEGG

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UniProtKB/TrEMBL

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PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.18E+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))
BDBM50440136
PNG
(CHEMBL2426391)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/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