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BDBM50117328 4-{7-[3-(3,3-Difluoro-piperidin-1-yl)-propoxy]-6-methoxy-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide::CHEMBL125431

SMILES: COc1cc2c(ncnc2cc1OCCCN1CCCC(F)(F)C1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

InChI Key: InChIKey=IFWXSBLDRFMUHB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50117328   
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))
BDBM50117328
PNG
(4-{7-[3-(3,3-Difluoro-piperidin-1-yl)-propoxy]-6-m...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCC(F)(F)C1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H40F2N6O4/c1-22(2)43-24-8-6-23(7-9-24)36-30(40)39-15-13-38(14-16-39)29-25-18-27(41-3)28(19-26(25)34-21-35-29)42-17-5-12-37-11-4-10-31(32,33)20-37/h6-9,18-19,21-22H,4-5,10-17,20H2,1-3H3,(H,36,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 29n/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))
BDBM50117328
PNG
(4-{7-[3-(3,3-Difluoro-piperidin-1-yl)-propoxy]-6-m...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCC(F)(F)C1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H40F2N6O4/c1-22(2)43-24-8-6-23(7-9-24)36-30(40)39-15-13-38(14-16-39)29-25-18-27(41-3)28(19-26(25)34-21-35-29)42-17-5-12-37-11-4-10-31(32,33)20-37/h6-9,18-19,21-22H,4-5,10-17,20H2,1-3H3,(H,36,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 150n/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