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BDBM397824 US9994552, Compound 35

SMILES: COc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)c(O)n3)c2cc1OC

InChI Key: InChIKey=MAZPVTWTJNUMLN-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 = 397824   
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))		BDBM397824
PNG
(US9994552, Compound 35)
Show SMILES COc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)c(O)n3)c2cc1OC
Show InChI InChI=1S/C25H26N6O3/c1-33-21-13-19-20(14-22(21)34-2)27-16-28-23(19)30-8-10-31(11-9-30)25-26-15-18(24(32)29-25)12-17-6-4-3-5-7-17/h3-7,13-16H,8-12H2,1-2H3,(H,26,29,32)
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))		BDBM397824
PNG
(US9994552, Compound 35)
Show SMILES COc1cc2ncnc(N3CCN(CC3)c3ncc(Cc4ccccc4)c(O)n3)c2cc1OC
Show InChI InChI=1S/C25H26N6O3/c1-33-21-13-19-20(14-22(21)34-2)27-16-28-23(19)30-8-10-31(11-9-30)25-26-15-18(24(32)29-25)12-17-6-4-3-5-7-17/h3-7,13-16H,8-12H2,1-2H3,(H,26,29,32)
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