new BindingDB logo
myBDB logout

BDBM50117319 4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide::CHEMBL125898

SMILES: COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

InChI Key: InChIKey=QRJUFNKCBDLAKR-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50117319   
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))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 40n/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
Fibroblast growth factor receptor


(Homo sapiens (Human))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibroblast growth factor receptor


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))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 100n/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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 20n/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))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 60n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase


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))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 100n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Flt3/ITD mutant expressed in hematopoietic cells or AML cell lines; range = 30-100 nM


J Med Chem 45: 3772-93 (2002)


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


(Homo sapiens (Human))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor


J Med Chem 45: 3772-93 (2002)


BindingDB Entry DOI: 10.7270/Q2WW7JD9
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of chimeric PDGF receptor with CSF-1R 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))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 60n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50117319
PNG
(4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazol...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C30H40N6O5/c1-22(2)41-24-7-5-23(6-8-24)33-30(37)36-12-10-35(11-13-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)40-16-4-9-34-14-17-39-18-15-34/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2


J Med Chem 45: 3772-93 (2002)


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