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SMILES: COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(NCc1cc(C)on1)=NC#N

InChI Key: InChIKey=SQQXZLDWWFORTO-UHFFFAOYSA-N

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

Found 2 hits for monomerid = 50152348   
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))
BDBM50152348
PNG
(4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(NCc1cc(C)on1)=NC#N |w:37.42|
Show InChI InChI=1S/C28H37N9O3/c1-21-15-22(34-40-21)18-30-28(31-19-29)37-12-10-36(11-13-37)27-23-16-25(38-2)26(17-24(23)32-20-33-27)39-14-6-9-35-7-4-3-5-8-35/h15-17,20H,3-14,18H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+4n/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))
BDBM50152348
PNG
(4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(NCc1cc(C)on1)=NC#N |w:37.42|
Show InChI InChI=1S/C28H37N9O3/c1-21-15-22(34-40-21)18-30-28(31-19-29)37-12-10-36(11-13-37)27-23-16-25(38-2)26(17-24(23)32-20-33-27)39-14-6-9-35-7-4-3-5-8-35/h15-17,20H,3-14,18H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.37E+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