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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Platelet-derived growth factor receptor beta' and Ligand = 'BDBM50152394'   
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))
BDBM50152394
PNG
(4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(N)nc1
Show InChI InChI=1S/C27H36N8O2S/c1-36-23-15-21-22(16-24(23)37-14-13-33-7-3-2-4-8-33)31-19-32-26(21)34-9-11-35(12-10-34)27(38)30-18-20-5-6-25(28)29-17-20/h5-6,15-17,19H,2-4,7-14,18H2,1H3,(H2,28,29)(H,30,38)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.93E+3n/an/an/an/an/an/a



and In Vivo Sciences Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Platelet derived growth factor receptor beta autophosphorylation in MG-63 cells with 45% human plasma


Bioorg Med Chem Lett 14: 4867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.041
BindingDB Entry DOI: 10.7270/Q2VM4BQN
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50152394
PNG
(4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(N)nc1
Show InChI InChI=1S/C27H36N8O2S/c1-36-23-15-21-22(16-24(23)37-14-13-33-7-3-2-4-8-33)31-19-32-26(21)34-9-11-35(12-10-34)27(38)30-18-20-5-6-25(28)29-17-20/h5-6,15-17,19H,2-4,7-14,18H2,1H3,(H2,28,29)(H,30,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.81E+3n/an/an/an/an/an/a



and In Vivo Sciences Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of Platelet derived growth factor receptor beta autophosphorylation in MG-63 cells without plasma


Bioorg Med Chem Lett 14: 4867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.041
BindingDB Entry DOI: 10.7270/Q2VM4BQN
More data for this
Ligand-Target Pair