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BDBM175668 US9688680, 214

SMILES: Cc1ccc(CNC(=O)C2(C)CN(C2)c2ncnn3cc(cc23)-c2ccc(OC(C)(C)C)cc2)cc1

InChI Key: InChIKey=DLRSVKADYAUJGW-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 = 175668   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Kit (Kit)(D816V)


(Homo sapiens (Human))
BDBM175668
PNG
(US9688680, 214)
Show SMILES Cc1ccc(CNC(=O)C2(C)CN(C2)c2ncnn3cc(cc23)-c2ccc(OC(C)(C)C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-20-6-8-21(9-7-20)15-30-27(35)29(5)17-33(18-29)26-25-14-23(16-34(25)32-19-31-26)22-10-12-24(13-11-22)36-28(2,3)4/h6-14,16,19H,15,17-18H2,1-5H3,(H,30,35)
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))
BDBM175668
PNG
(US9688680, 214)
Show SMILES Cc1ccc(CNC(=O)C2(C)CN(C2)c2ncnn3cc(cc23)-c2ccc(OC(C)(C)C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-20-6-8-21(9-7-20)15-30-27(35)29(5)17-33(18-29)26-25-14-23(16-34(25)32-19-31-26)22-10-12-24(13-11-22)36-28(2,3)4/h6-14,16,19H,15,17-18H2,1-5H3,(H,30,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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))
BDBM175668
PNG
(US9688680, 214)
Show SMILES Cc1ccc(CNC(=O)C2(C)CN(C2)c2ncnn3cc(cc23)-c2ccc(OC(C)(C)C)cc2)cc1
Show InChI InChI=1S/C29H33N5O2/c1-20-6-8-21(9-7-20)15-30-27(35)29(5)17-33(18-29)26-25-14-23(16-34(25)32-19-31-26)22-10-12-24(13-11-22)36-28(2,3)4/h6-14,16,19H,15,17-18H2,1-5H3,(H,30,35)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
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