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

InChI Key: InChIKey=XMMZUEFCWDQOPI-UHFFFAOYSA-N

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)


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)


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)


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)


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)


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)


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)


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 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)


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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UniChem

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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)


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)


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)


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)
PDB

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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)


BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair