new BindingDB logo
myBDB logout

BDBM50341531 3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cyclopropylamino)pyridin-2-yl)-(1H)-pyridin-2-one::CHEMBL1765778

SMILES: O=C(Nc1cc(c[nH]c1=O)-c1cccc(NC2CC2)n1)c1ccc(cc1)N1CCCCC1

InChI Key: InChIKey=SZLUNZPKVMPWTA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50341531   
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))
BDBM50341531
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cycloprop...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1cccc(NC2CC2)n1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
120n/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))
BDBM50341531
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cycloprop...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1cccc(NC2CC2)n1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
>2.00E+3n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50341531
PNG
(3-(4-(Piperidin-1-yl)benzoylamino)-5-(6-(cycloprop...)
Show SMILES O=C(Nc1cc(c[nH]c1=O)-c1cccc(NC2CC2)n1)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C25H27N5O2/c31-24(17-7-11-20(12-8-17)30-13-2-1-3-14-30)29-22-15-18(16-26-25(22)32)21-5-4-6-23(28-21)27-19-9-10-19/h4-8,11-12,15-16,19H,1-3,9-10,13-14H2,(H,26,32)(H,27,28)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
>4.00E+3n/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