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SMILES: COc1cc2c(N3CCN(CC3)C(=S)Nc3ccc(nc3)-c3ccccc3)c(cnc2cc1OCCCN1CCCCC1)C#N

InChI Key: InChIKey=UXHUNXDZZALRBJ-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50152378   
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))
BDBM50152378
PNG
(4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-...)
Show SMILES COc1cc2c(N3CCN(CC3)C(=S)Nc3ccc(nc3)-c3ccccc3)c(cnc2cc1OCCCN1CCCCC1)C#N
Show InChI InChI=1S/C35H39N7O2S/c1-43-32-21-29-31(22-33(32)44-20-8-15-40-13-6-3-7-14-40)37-24-27(23-36)34(29)41-16-18-42(19-17-41)35(45)39-28-11-12-30(38-25-28)26-9-4-2-5-10-26/h2,4-5,9-12,21-22,24-25H,3,6-8,13-20H2,1H3,(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 280n/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))
BDBM50152378
PNG
(4-[3-Cyano-6-methoxy-7-(3-piperidin-1-yl-propoxy)-...)
Show SMILES COc1cc2c(N3CCN(CC3)C(=S)Nc3ccc(nc3)-c3ccccc3)c(cnc2cc1OCCCN1CCCCC1)C#N
Show InChI InChI=1S/C35H39N7O2S/c1-43-32-21-29-31(22-33(32)44-20-8-15-40-13-6-3-7-14-40)37-24-27(23-36)34(29)41-16-18-42(19-17-41)35(45)39-28-11-12-30(38-25-28)26-9-4-2-5-10-26/h2,4-5,9-12,21-22,24-25H,3,6-8,13-20H2,1H3,(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 150n/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