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BDBM50152369 4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (6-trifluoromethyl-pyridin-3-ylmethyl)-amide::CHEMBL184244

SMILES: COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(nc1)C(F)(F)F

InChI Key: InChIKey=KMPKNQLUSHGOEZ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50152369   
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))
BDBM50152369
PNG
(4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N7O2S/c1-39-23-15-21-22(16-24(23)40-14-13-36-7-3-2-4-8-36)34-19-35-26(21)37-9-11-38(12-10-37)27(41)33-18-20-5-6-25(32-17-20)28(29,30)31/h5-6,15-17,19H,2-4,7-14,18H2,1H3,(H,33,41)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



and In Vivo Sciences Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Platelet derived growth factor receptor beta autophosphorylation in CHO cells


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))
BDBM50152369
PNG
(4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N7O2S/c1-39-23-15-21-22(16-24(23)40-14-13-36-7-3-2-4-8-36)34-19-35-26(21)37-9-11-38(12-10-37)27(41)33-18-20-5-6-25(32-17-20)28(29,30)31/h5-6,15-17,19H,2-4,7-14,18H2,1H3,(H,33,41)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50152369
PNG
(4-[6-Methoxy-7-(2-piperidin-1-yl-ethoxy)-quinazoli...)
Show SMILES COc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=S)NCc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N7O2S/c1-39-23-15-21-22(16-24(23)40-14-13-36-7-3-2-4-8-36)34-19-35-26(21)37-9-11-38(12-10-37)27(41)33-18-20-5-6-25(32-17-20)28(29,30)31/h5-6,15-17,19H,2-4,7-14,18H2,1H3,(H,33,41)
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 90n/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