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BDBM397897 US9994552, Compound 108

SMILES: COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC

InChI Key: InChIKey=GWVUCXTYNJIWGK-UHFFFAOYSA-N

Data: 2 IC50  7 Kd

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 9 hits for monomerid = 397897   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM397897
PNG
(US9994552, Compound 108)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
Show InChI InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Duquesne University



Assay Description
Kit wild type assay: In each well of a 384-well plate, 0.2 ng/ul final (2 nM) of wild type Kit (Carna Bioscience 08-156) was incubated in a total of ...


J Med Chem 52: 4892-902 (2009)


BindingDB Entry DOI: 10.7270/Q27M0B8Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)(D816V)


(Homo sapiens (Human))
BDBM397897
PNG
(US9994552, Compound 108)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
Show InChI InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Duquesne University



Assay Description
Kit D816V assay: In each well of a 384-well plate, 0.04 ng/ul (0.5 nM) of D816V Kit (Carna Bioscience 08-156) was incubated in a total of 12.5 ul of ...


J Med Chem 52: 4892-902 (2009)


BindingDB Entry DOI: 10.7270/Q27M0B8Q
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM397897
PNG
(US9994552, Compound 108)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
Show InChI InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to PDGFRbeta (unknown origin)


Bioorg Med Chem Lett 28: 1781-1784 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.030
BindingDB Entry DOI: 10.7270/Q21C20H6
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM397897
PNG
(US9994552, Compound 108)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
Show InChI InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 20n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to KIT (unknown origin)


Bioorg Med Chem Lett 28: 1781-1784 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.030
BindingDB Entry DOI: 10.7270/Q21C20H6
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM397897
PNG
(US9994552, Compound 108)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
Show InChI InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.40n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to KIT V816H mutant (unknown origin)


Bioorg Med Chem Lett 28: 1781-1784 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.030
BindingDB Entry DOI: 10.7270/Q21C20H6
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM397897
PNG
(US9994552, Compound 108)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
Show InChI InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.400n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to KIT D816V mutant (unknown origin)


Bioorg Med Chem Lett 28: 1781-1784 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.030
BindingDB Entry DOI: 10.7270/Q21C20H6
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM397897
PNG
(US9994552, Compound 108)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
Show InChI InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 11n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to KIT V559D mutant (unknown origin)


Bioorg Med Chem Lett 28: 1781-1784 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.030
BindingDB Entry DOI: 10.7270/Q21C20H6
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM397897
PNG
(US9994552, Compound 108)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
Show InChI InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 130n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to KIT V559D/T670I mutant (unknown origin)


Bioorg Med Chem Lett 28: 1781-1784 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.030
BindingDB Entry DOI: 10.7270/Q21C20H6
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM397897
PNG
(US9994552, Compound 108)
Show SMILES COCCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)cn3)c2cc1OCCOC
Show InChI InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 14n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to PDGFRalpha (unknown origin)


Bioorg Med Chem Lett 28: 1781-1784 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.030
BindingDB Entry DOI: 10.7270/Q21C20H6
More data for this
Ligand-Target Pair