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BDBM175420 US9688680, 20

SMILES: Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CC(C)(C1)C(=O)Nc1ccc(cc1)C#N

InChI Key: InChIKey=QVCZDUSEWPVTMP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 175420   
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))
BDBM175420
PNG
(US9688680, 20)
Show SMILES Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CC(C)(C1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N8O/c1-22(21(31)27-18-5-3-15(8-23)4-6-18)12-29(13-22)20-19-7-16(11-30(19)26-14-24-20)17-9-25-28(2)10-17/h3-7,9-11,14H,12-13H2,1-2H3,(H,27,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/a7.525



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
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 12.5 ul of buffer (10...


US Patent US9688680 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9GDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)(V560G/D816V)


(Homo sapiens (Human))
BDBM175420
PNG
(US9688680, 20)
Show SMILES Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CC(C)(C1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N8O/c1-22(21(31)27-18-5-3-15(8-23)4-6-18)12-29(13-22)20-19-7-16(11-30(19)26-14-24-20)17-9-25-28(2)10-17/h3-7,9-11,14H,12-13H2,1-2H3,(H,27,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/a25



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
10,000 HMC1.2 cells were incubated in 22 ul culture media (phenol-red free IMDM, no serum) in each well of a 384-well plate and serum starved overnig...


US Patent US9688680 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9GDQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM175420
PNG
(US9688680, 20)
Show SMILES Cn1cc(cn1)-c1cc2c(ncnn2c1)N1CC(C)(C1)C(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C22H20N8O/c1-22(21(31)27-18-5-3-15(8-23)4-6-18)12-29(13-22)20-19-7-16(11-30(19)26-14-24-20)17-9-25-28(2)10-17/h3-7,9-11,14H,12-13H2,1-2H3,(H,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/a7.525



BLUEPRINT MEDICINES CORPORATION

US Patent


Assay Description
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 buffer (100 mM HE...


US Patent US9688680 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9GDQ
More data for this
Ligand-Target Pair