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BDBM50152381 4-[6-Methoxy-7-(2-morpholin-4-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (benzo[1,3]dioxol-5-ylmethyl)-amide::CHEMBL187960

SMILES: COc1cc2c(ncnc2cc1OCCN1CCOCC1)N1CCN(CC1)C(=S)NCc1ccc2OCOc2c1

InChI Key: InChIKey=GVRQTPYLKDOOIU-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50152381   
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))
BDBM50152381
PNG
(4-[6-Methoxy-7-(2-morpholin-4-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCOCC1)N1CCN(CC1)C(=S)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C28H34N6O5S/c1-35-24-15-21-22(16-26(24)37-13-10-32-8-11-36-12-9-32)30-18-31-27(21)33-4-6-34(7-5-33)28(40)29-17-20-2-3-23-25(14-20)39-19-38-23/h2-3,14-16,18H,4-13,17,19H2,1H3,(H,29,40)
PDB
MMDB

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PC cid
PC sid
UniChem

Patents


Similars

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


(Homo sapiens (Human))
BDBM50152381
PNG
(4-[6-Methoxy-7-(2-morpholin-4-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCOCC1)N1CCN(CC1)C(=S)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C28H34N6O5S/c1-35-24-15-21-22(16-26(24)37-13-10-32-8-11-36-12-9-32)30-18-31-27(21)33-4-6-34(7-5-33)28(40)29-17-20-2-3-23-25(14-20)39-19-38-23/h2-3,14-16,18H,4-13,17,19H2,1H3,(H,29,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 260n/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