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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Platelet-derived growth factor receptor beta' and Ligand = 'BDBM50117319'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
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)
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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)
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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
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
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KEGG

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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