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BDBM62810 2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile::2-amino-6-methyl-4-(3-pyridyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile::2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile::2-azanyl-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile::MLS000114823::SMR000092114::cid_3835861

SMILES: CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1

InChI Key: InChIKey=QSYBDNXNOJIKML-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 = 62810   
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
Hsf1 protein


(Mus musculus)
BDBM62810
PNG
(2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...)
Show SMILES CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1
Show InChI InChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20)
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PCBioAssay
n/an/an/an/a 1.83E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM62810
PNG
(2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...)
Show SMILES CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1
Show InChI InChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20)
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PubMed
n/an/a 500n/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK8 (unknown origin)


J Med Chem 61: 5073-5092 (2018)


BindingDB Entry DOI: 10.7270/Q29W0J3B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8/Cyclin-C


(Mus musculus)
BDBM62810
PNG
(2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...)
Show SMILES CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1
Show InChI InChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20)
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PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK8/Cyclin-C in R848-stimulated mouse BMDC assessed as upregulation of IL-10 level


J Med Chem 61: 5073-5092 (2018)


BindingDB Entry DOI: 10.7270/Q29W0J3B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 19


(Homo sapiens (Human))
BDBM62810
PNG
(2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...)
Show SMILES CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1
Show InChI InChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20)
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PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK19 (unknown origin)


J Med Chem 61: 5073-5092 (2018)


BindingDB Entry DOI: 10.7270/Q29W0J3B
More data for this
Ligand-Target Pair