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BDBM397811 US9994552, Compound 22

SMILES: COc1cc2ncnc(N3CCN(C(=O)C3)c3ncc(Cc4ccc(C)cc4)cn3)c2cc1OC

InChI Key: InChIKey=BWKMXBQCMSCBSK-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 = 397811   
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 [D816V]


(Homo sapiens (Human))
BDBM397811
PNG
(US9994552, Compound 22)
Show SMILES COc1cc2ncnc(N3CCN(C(=O)C3)c3ncc(Cc4ccc(C)cc4)cn3)c2cc1OC
Show InChI InChI=1S/C26H26N6O3/c1-17-4-6-18(7-5-17)10-19-13-27-26(28-14-19)32-9-8-31(15-24(32)33)25-20-11-22(34-2)23(35-3)12-21(20)29-16-30-25/h4-7,11-14,16H,8-10,15H2,1-3H3
PDB

UniProtKB/SwissProt

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))
BDBM397811
PNG
(US9994552, Compound 22)
Show SMILES COc1cc2ncnc(N3CCN(C(=O)C3)c3ncc(Cc4ccc(C)cc4)cn3)c2cc1OC
Show InChI InChI=1S/C26H26N6O3/c1-17-4-6-18(7-5-17)10-19-13-27-26(28-14-19)32-9-8-31(15-24(32)33)25-20-11-22(34-2)23(35-3)12-21(20)29-16-30-25/h4-7,11-14,16H,8-10,15H2,1-3H3
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