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SMILES: COc1cc2c(N3CCN(CC3)C(=S)Nc3ccc(cc3)-c3ccccn3)c(cnc2cc1OCCCN1CCCCC1)C#N

InChI Key: InChIKey=AQTCOACEVKFRNO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50152366   
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))
BDBM50152366
PNG
(4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-...)
Show SMILES COc1cc2c(N3CCN(CC3)C(=S)Nc3ccc(cc3)-c3ccccn3)c(cnc2cc1OCCCN1CCCCC1)C#N
Show InChI InChI=1S/C35H39N7O2S/c1-43-32-22-29-31(23-33(32)44-21-7-16-40-14-5-2-6-15-40)38-25-27(24-36)34(29)41-17-19-42(20-18-41)35(45)39-28-11-9-26(10-12-28)30-8-3-4-13-37-30/h3-4,8-13,22-23,25H,2,5-7,14-21H2,1H3,(H,39,45)
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 130n/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))
BDBM50152366
PNG
(4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-...)
Show SMILES COc1cc2c(N3CCN(CC3)C(=S)Nc3ccc(cc3)-c3ccccn3)c(cnc2cc1OCCCN1CCCCC1)C#N
Show InChI InChI=1S/C35H39N7O2S/c1-43-32-22-29-31(23-33(32)44-21-7-16-40-14-5-2-6-15-40)38-25-27(24-36)34(29)41-17-19-42(20-18-41)35(45)39-28-11-9-26(10-12-28)30-8-3-4-13-37-30/h3-4,8-13,22-23,25H,2,5-7,14-21H2,1H3,(H,39,45)
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 220n/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