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BDBM50509369 CHEMBL4548361

SMILES: COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12

InChI Key: InChIKey=NDWPRZFOCQREKV-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50509369   
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
Mitogen-activated protein kinase 15


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of ERK8 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
PDB

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n/an/a 3.10E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK3


(Homo sapiens)
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
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n/an/a>1.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of SIK3 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of RIPK2 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
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PC sid
UniChem
Article
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n/an/a>1.00E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50509369
PNG
(CHEMBL4548361)
Show SMILES COc1cc(Br)cc2[nH]c(I)c(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H11BrIN3O2/c1-22-11-6-8(17)5-10-13(11)14(15(18)21-10)12-7-20-16(23-12)9-3-2-4-19-9/h2-7,19,21H,1H3
PDB

NCI pathway
KEGG

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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
More data for this
Ligand-Target Pair