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BDBM175740 US9688680, 285

SMILES: CC[C@H](NC(=O)C1CN(C1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H](C)[C@@H](C)O)c1ccc(Cl)cc1

InChI Key: InChIKey=YECAGHZJRWHDBN-MFEFFIJZSA-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 = 175740   
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))
BDBM175740
PNG
(US9688680, 285)
Show SMILES CC[C@H](NC(=O)C1CN(C1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H](C)[C@@H](C)O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H30ClN7O2/c1-4-23(18-5-7-22(27)8-6-18)31-26(36)21-11-32(12-21)25-24-9-19(13-34(24)30-15-28-25)20-10-29-33(14-20)16(2)17(3)35/h5-10,13-17,21,23,35H,4,11-12H2,1-3H3,(H,31,36)/t16-,17+,23-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/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))
BDBM175740
PNG
(US9688680, 285)
Show SMILES CC[C@H](NC(=O)C1CN(C1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H](C)[C@@H](C)O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H30ClN7O2/c1-4-23(18-5-7-22(27)8-6-18)31-26(36)21-11-32(12-21)25-24-9-19(13-34(24)30-15-28-25)20-10-29-33(14-20)16(2)17(3)35/h5-10,13-17,21,23,35H,4,11-12H2,1-3H3,(H,31,36)/t16-,17+,23-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/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))
BDBM175740
PNG
(US9688680, 285)
Show SMILES CC[C@H](NC(=O)C1CN(C1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H](C)[C@@H](C)O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H30ClN7O2/c1-4-23(18-5-7-22(27)8-6-18)31-26(36)21-11-32(12-21)25-24-9-19(13-34(24)30-15-28-25)20-10-29-33(14-20)16(2)17(3)35/h5-10,13-17,21,23,35H,4,11-12H2,1-3H3,(H,31,36)/t16-,17+,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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