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BDBM50355467 CHEMBL1833992

SMILES: COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1

InChI Key: InChIKey=WPFRNEQAKJNVPZ-UHFFFAOYSA-N

Data: 5 KI  2 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 7 hits for monomerid = 50355467   
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 receptor FLT3


(Homo sapiens (Human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
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6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant FLT3 domain after 20 mins by scintillation counting


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
PDB

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antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
60n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
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160n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
PDB
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NCI pathway
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
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>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by spectrophotometry


J Med Chem 54: 7184-92 (2011)


Article DOI: 10.1021/jm200712h
BindingDB Entry DOI: 10.7270/Q2DZ08QQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
PDB

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antibodypedia
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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-Kit by radiometric assay


J Med Chem 55: 725-34 (2012)


Article DOI: 10.1021/jm201198w
BindingDB Entry DOI: 10.7270/Q2GQ6Z6R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 by radiometric assay


J Med Chem 55: 725-34 (2012)


Article DOI: 10.1021/jm201198w
BindingDB Entry DOI: 10.7270/Q2GQ6Z6R
More data for this
Ligand-Target Pair