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BDBM50124147 CHEMBL3622826

SMILES: NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1

InChI Key: InChIKey=XMMZUEFCWDQOPI-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50124147   
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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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n/an/a 4.37E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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n/an/a 2.33E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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n/an/a 7.60E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin) using 1 mM of ATP and Tyr3 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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n/an/a 50n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using 87 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Mus musculus)
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
PDB
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n/an/a 50n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged mouse JAK1 expressed in insect Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate by HTRF assay


Bioorg Med Chem Lett 26: 3213-3215 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.078
BindingDB Entry DOI: 10.7270/Q2K64M0X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using 16 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin) using 25 uM of ATP and Tyr3 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
PDB

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GoogleScholar
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UniChem

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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged human TYK2 expressed in insect Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate by HTRF assay


Bioorg Med Chem Lett 26: 3213-3215 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.078
BindingDB Entry DOI: 10.7270/Q2K64M0X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged human JAK3 expressed in insect Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate by HTRF assay


Bioorg Med Chem Lett 26: 3213-3215 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.078
BindingDB Entry DOI: 10.7270/Q2K64M0X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged human JAK2 expressed in insect Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate by HTRF assay


Bioorg Med Chem Lett 26: 3213-3215 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.078
BindingDB Entry DOI: 10.7270/Q2K64M0X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50124147
PNG
(CHEMBL3622826)
Show SMILES NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show InChI InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
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n/an/a 3.15E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 35 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair