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BDBM50191946 CHEMBL3950278

SMILES: CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cccnc2)c1

InChI Key: InChIKey=WRVHTKBRWDARTN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50191946   
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


(Homo sapiens (Human))
BDBM50191946
PNG
(CHEMBL3950278)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cccnc2)c1
Show InChI InChI=1S/C32H30FN7O2/c1-38-13-15-39(16-14-38)28-7-3-2-5-25(28)20-36-31(41)23-8-9-26(33)27(17-23)37-32(42)29-21-35-30-18-22(10-12-40(29)30)24-6-4-11-34-19-24/h2-12,17-19,21H,13-16,20H2,1H3,(H,36,41)(H,37,42)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.75n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50191946
PNG
(CHEMBL3950278)
Show SMILES CN1CCN(CC1)c1ccccc1CNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(ccn23)-c2cccnc2)c1
Show InChI InChI=1S/C32H30FN7O2/c1-38-13-15-39(16-14-38)28-7-3-2-5-25(28)20-36-31(41)23-8-9-26(33)27(17-23)37-32(42)29-21-35-30-18-22(10-12-40(29)30)24-6-4-11-34-19-24/h2-12,17-19,21H,13-16,20H2,1H3,(H,36,41)(H,37,42)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research (NIBR)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence ass...


J Med Chem 59: 7901-14 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00703
BindingDB Entry DOI: 10.7270/Q25X2BW1
More data for this
Ligand-Target Pair