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BDBM397846 US9994552, Compound 57

SMILES: COc1cccc(Cc2cnc(nc2)N2CCN(CC2)c2ncnc3cc(OC)c(OC)cc23)c1

InChI Key: InChIKey=SKYTUAHNZJSBPF-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 = 397846   
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))
BDBM397846
PNG
(US9994552, Compound 57)
Show SMILES COc1cccc(Cc2cnc(nc2)N2CCN(CC2)c2ncnc3cc(OC)c(OC)cc23)c1
Show InChI InChI=1S/C26H28N6O3/c1-33-20-6-4-5-18(12-20)11-19-15-27-26(28-16-19)32-9-7-31(8-10-32)25-21-13-23(34-2)24(35-3)14-22(21)29-17-30-25/h4-6,12-17H,7-11H2,1-3H3
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))
BDBM397846
PNG
(US9994552, Compound 57)
Show SMILES COc1cccc(Cc2cnc(nc2)N2CCN(CC2)c2ncnc3cc(OC)c(OC)cc23)c1
Show InChI InChI=1S/C26H28N6O3/c1-33-20-6-4-5-18(12-20)11-19-15-27-26(28-16-19)32-9-7-31(8-10-32)25-21-13-23(34-2)24(35-3)14-22(21)29-17-30-25/h4-6,12-17H,7-11H2,1-3H3
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