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BDBM50094616 CHEMBL3589325

SMILES: CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccccc1)C(N)=O

InChI Key: InChIKey=RBQVUJZJHQEQMT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50094616   
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))
BDBM50094616
PNG
(CHEMBL3589325)
Show SMILES CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C24H24N4O/c1-27-9-11-28(12-10-27)18-7-8-19-20-13-17(16-5-3-2-4-6-16)14-21(24(25)29)23(20)26-22(19)15-18/h2-8,13-15,26H,9-12H2,1H3,(H2,25,29)
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n/an/a 141n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 25: 2809-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.101
BindingDB Entry DOI: 10.7270/Q2BC419G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50094616
PNG
(CHEMBL3589325)
Show SMILES CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C24H24N4O/c1-27-9-11-28(12-10-27)18-7-8-19-20-13-17(16-5-3-2-4-6-16)14-21(24(25)29)23(20)26-22(19)15-18/h2-8,13-15,26H,9-12H2,1H3,(H2,25,29)
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n/an/a 264n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 25: 2809-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.101
BindingDB Entry DOI: 10.7270/Q2BC419G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50094616
PNG
(CHEMBL3589325)
Show SMILES CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C24H24N4O/c1-27-9-11-28(12-10-27)18-7-8-19-20-13-17(16-5-3-2-4-6-16)14-21(24(25)29)23(20)26-22(19)15-18/h2-8,13-15,26H,9-12H2,1H3,(H2,25,29)
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n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 2809-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.101
BindingDB Entry DOI: 10.7270/Q2BC419G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50094616
PNG
(CHEMBL3589325)
Show SMILES CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C24H24N4O/c1-27-9-11-28(12-10-27)18-7-8-19-20-13-17(16-5-3-2-4-6-16)14-21(24(25)29)23(20)26-22(19)15-18/h2-8,13-15,26H,9-12H2,1H3,(H2,25,29)
PDB

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n/an/a 370n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as inhibition of cell proliferation


Bioorg Med Chem Lett 25: 2809-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.101
BindingDB Entry DOI: 10.7270/Q2BC419G
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50094616
PNG
(CHEMBL3589325)
Show SMILES CN1CCN(CC1)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C24H24N4O/c1-27-9-11-28(12-10-27)18-7-8-19-20-13-17(16-5-3-2-4-6-16)14-21(24(25)29)23(20)26-22(19)15-18/h2-8,13-15,26H,9-12H2,1H3,(H2,25,29)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


Bioorg Med Chem Lett 25: 2809-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.101
BindingDB Entry DOI: 10.7270/Q2BC419G
More data for this
Ligand-Target Pair