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BDBM50152377 4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]-6-methoxy-7-alkoxyamino-quinazoline derivative::CHEMBL186850

SMILES: COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(NCc1ccc2OCOc2c1)=NC#N

InChI Key: InChIKey=KQGFBLYLLXKIPF-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50152377   
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))
BDBM50152377
PNG
(4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(NCc1ccc2OCOc2c1)=NC#N |w:40.46|
Show InChI InChI=1S/C31H38N8O4/c1-40-27-17-24-25(18-29(27)41-15-5-10-37-8-3-2-4-9-37)35-21-36-30(24)38-11-13-39(14-12-38)31(34-20-32)33-19-23-6-7-26-28(16-23)43-22-42-26/h6-7,16-18,21H,2-5,8-15,19,22H2,1H3,(H,33,34)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 590n/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))
BDBM50152377
PNG
(4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(NCc1ccc2OCOc2c1)=NC#N |w:40.46|
Show InChI InChI=1S/C31H38N8O4/c1-40-27-17-24-25(18-29(27)41-15-5-10-37-8-3-2-4-9-37)35-21-36-30(24)38-11-13-39(14-12-38)31(34-20-32)33-19-23-6-7-26-28(16-23)43-22-42-26/h6-7,16-18,21H,2-5,8-15,19,22H2,1H3,(H,33,34)
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 320n/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