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BDBM50117326 4-{6-Methoxy-7-[3-(2-methyl-piperidin-1-yl)-propoxy]-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide::CHEMBL126699

SMILES: COc1cc2c(ncnc2cc1OCCCN1CCCCC1C)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N

InChI Key: InChIKey=SNGNZNPCCSZZBJ-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 = 50117326   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50117326
PNG
(4-{6-Methoxy-7-[3-(2-methyl-piperidin-1-yl)-propox...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1C)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C30H37N7O3/c1-22-6-3-4-11-35(22)12-5-17-40-28-19-26-25(18-27(28)39-2)29(33-21-32-26)36-13-15-37(16-14-36)30(38)34-24-9-7-23(20-31)8-10-24/h7-10,18-19,21-22H,3-6,11-17H2,1-2H3,(H,34,38)
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n/an/a<4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50117326
PNG
(4-{6-Methoxy-7-[3-(2-methyl-piperidin-1-yl)-propox...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1C)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C30H37N7O3/c1-22-6-3-4-11-35(22)12-5-17-40-28-19-26-25(18-27(28)39-2)29(33-21-32-26)36-13-15-37(16-14-36)30(38)34-24-9-7-23(20-31)8-10-24/h7-10,18-19,21-22H,3-6,11-17H2,1-2H3,(H,34,38)
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n/an/a 29n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50117326
PNG
(4-{6-Methoxy-7-[3-(2-methyl-piperidin-1-yl)-propox...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1C)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C30H37N7O3/c1-22-6-3-4-11-35(22)12-5-17-40-28-19-26-25(18-27(28)39-2)29(33-21-32-26)36-13-15-37(16-14-36)30(38)34-24-9-7-23(20-31)8-10-24/h7-10,18-19,21-22H,3-6,11-17H2,1-2H3,(H,34,38)
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n/an/a 150n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type Platelet-derived growth factor receptor beta phosphorylation in CHO cells


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50117326
PNG
(4-{6-Methoxy-7-[3-(2-methyl-piperidin-1-yl)-propox...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1C)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C30H37N7O3/c1-22-6-3-4-11-35(22)12-5-17-40-28-19-26-25(18-27(28)39-2)29(33-21-32-26)36-13-15-37(16-14-36)30(38)34-24-9-7-23(20-31)8-10-24/h7-10,18-19,21-22H,3-6,11-17H2,1-2H3,(H,34,38)
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n/an/a 8.79E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chimeric PDGF receptor with FLT-3 cytoplasmic domain phosphorylation in CHO cells


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50117326
PNG
(4-{6-Methoxy-7-[3-(2-methyl-piperidin-1-yl)-propox...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1C)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C30H37N7O3/c1-22-6-3-4-11-35(22)12-5-17-40-28-19-26-25(18-27(28)39-2)29(33-21-32-26)36-13-15-37(16-14-36)30(38)34-24-9-7-23(20-31)8-10-24/h7-10,18-19,21-22H,3-6,11-17H2,1-2H3,(H,34,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 6n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chimeric PDGF receptor with c-kit cytoplasmic domain phosphorylation in CHO cells


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair