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BDBM397825 US9994552, Compound 36

SMILES: COc1cc2ncnc(N3CCN(CC3)c3ncc(COc4ccccc4)cn3)c2cc1OC

InChI Key: InChIKey=ITFGZRVQOSOOBE-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 = 397825   
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))
BDBM397825
PNG
(US9994552, Compound 36)
Show SMILES COc1cc2ncnc(N3CCN(CC3)c3ncc(COc4ccccc4)cn3)c2cc1OC
Show InChI InChI=1S/C25H26N6O3/c1-32-22-12-20-21(13-23(22)33-2)28-17-29-24(20)30-8-10-31(11-9-30)25-26-14-18(15-27-25)16-34-19-6-4-3-5-7-19/h3-7,12-15,17H,8-11,16H2,1-2H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/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))
BDBM397825
PNG
(US9994552, Compound 36)
Show SMILES COc1cc2ncnc(N3CCN(CC3)c3ncc(COc4ccccc4)cn3)c2cc1OC
Show InChI InChI=1S/C25H26N6O3/c1-32-22-12-20-21(13-23(22)33-2)28-17-29-24(20)30-8-10-31(11-9-30)25-26-14-18(15-27-25)16-34-19-6-4-3-5-7-19/h3-7,12-15,17H,8-11,16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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