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BDBM50341521 3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyridin-4-yl)-(1H)-pyridin-2-one::CHEMBL1765774

SMILES: CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1

InChI Key: InChIKey=PQJDGKYKJGBRBM-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50341521   
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))
BDBM50341521
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)
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6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FMS


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50341521
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)
PDB
MMDB

Reactome pathway
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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50341521
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)
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12n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341521
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylami...)
Show SMILES CNc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCCCC2)c1
Show InChI InChI=1S/C23H25N5O2/c1-24-21-14-17(9-10-25-21)18-13-20(23(30)26-15-18)27-22(29)16-5-7-19(8-6-16)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,25)(H,26,30)(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

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Article
PubMed
140n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair