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

InChI Key: InChIKey=FKMCOMBDOWMXCA-SBUREZEXSA-N

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 = 175754   
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))
BDBM175754
PNG
(US9688680, 299)
Show SMILES CC[C@H](NC(=O)C1CN(C1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H](C)C(C)(C)O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H32ClN7O2/c1-5-23(18-6-8-22(28)9-7-18)32-26(36)21-12-33(13-21)25-24-10-19(14-35(24)31-16-29-25)20-11-30-34(15-20)17(2)27(3,4)37/h6-11,14-17,21,23,37H,5,12-13H2,1-4H3,(H,32,36)/t17-,23-/m0/s1
PDB

UniProtKB/SwissProt

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
Mast/stem cell growth factor receptor Kit [V560G,D816V]


(Homo sapiens (Human))
BDBM175754
PNG
(US9688680, 299)
Show SMILES CC[C@H](NC(=O)C1CN(C1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H](C)C(C)(C)O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H32ClN7O2/c1-5-23(18-6-8-22(28)9-7-18)32-26(36)21-12-33(13-21)25-24-10-19(14-35(24)31-16-29-25)20-11-30-34(15-20)17(2)27(3,4)37/h6-11,14-17,21,23,37H,5,12-13H2,1-4H3,(H,32,36)/t17-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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))
BDBM175754
PNG
(US9688680, 299)
Show SMILES CC[C@H](NC(=O)C1CN(C1)c1ncnn2cc(cc12)-c1cnn(c1)[C@@H](C)C(C)(C)O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H32ClN7O2/c1-5-23(18-6-8-22(28)9-7-18)32-26(36)21-12-33(13-21)25-24-10-19(14-35(24)31-16-29-25)20-11-30-34(15-20)17(2)27(3,4)37/h6-11,14-17,21,23,37H,5,12-13H2,1-4H3,(H,32,36)/t17-,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