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BDBM397927 US9994552, Compound 138

SMILES: CCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)c(=O)[nH]3)c2cc1OCC1CCN(C)CC1

InChI Key: InChIKey=RTHVXHJEEHGHEK-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 = 397927   
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
Tyrosine-protein kinase Kit (Kit)(D816V)


(Homo sapiens (Human))
BDBM397927
PNG
(US9994552, Compound 138)
Show SMILES CCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)c(=O)[nH]3)c2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C32H39N7O3/c1-3-41-29-19-27-26(18-28(29)42-21-24-9-11-37(2)12-10-24)30(35-22-34-27)38-13-15-39(16-14-38)32-33-20-25(31(40)36-32)17-23-7-5-4-6-8-23/h4-8,18-20,22,24H,3,9-17,21H2,1-2H3,(H,33,36,40)
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM397927
PNG
(US9994552, Compound 138)
Show SMILES CCOc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)c(=O)[nH]3)c2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C32H39N7O3/c1-3-41-29-19-27-26(18-28(29)42-21-24-9-11-37(2)12-10-24)30(35-22-34-27)38-13-15-39(16-14-38)32-33-20-25(31(40)36-32)17-23-7-5-4-6-8-23/h4-8,18-20,22,24H,3,9-17,21H2,1-2H3,(H,33,36,40)
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