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BDBM144326 US8969336, 570

SMILES: CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=VZEVMDYENBBHCI-JKIUYZKVSA-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 = 144326   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM144326
PNG
(US8969336, 570)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:40.44,wD:37.40,(6.63,1.27,;6.63,-.27,;8.13,-.59,;5.29,-1.04,;3.91,-.3,;2.58,-1.07,;1.81,.27,;2.58,1.6,;.27,.27,;2.58,-2.61,;1.24,-3.38,;-.09,-2.61,;-.09,-1.07,;-1.42,-.3,;-2.76,-1.07,;-4.09,-.3,;-5.42,-1.07,;-6.76,-.3,;-6.76,1.24,;-5.42,2.01,;-4.09,1.24,;-8.09,2.01,;-8.09,3.55,;-9.43,4.32,;-10.81,3.58,;-12.14,4.35,;-10.76,2.01,;-9.43,1.24,;-2.81,-2.63,;-1.42,-3.38,;-4.14,-3.4,;-5.47,-4.17,;-3.37,-4.74,;-4.91,-2.07,;3.91,-3.38,;5.24,-2.61,;6.58,-3.38,;7.91,-2.61,;9.25,-3.38,;10.58,-2.61,;10.58,-1.07,;11.91,-.3,;9.25,-.3,;7.91,-1.07,)|
Show InChI InChI=1S/C31H45F3N8O2/c1-19(2)26-29(36-20-4-7-23(43)8-5-20)39-30(27(38-26)28(35)44)37-21-6-9-25(24(18-21)31(32,33)34)42-12-10-22(11-13-42)41-16-14-40(3)15-17-41/h6,9,18-20,22-23,43H,4-5,7-8,10-17H2,1-3H3,(H2,35,44)(H2,36,37,39)/t20-,23-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.30n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a pept...


US Patent US8969336 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9GZW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM144326
PNG
(US8969336, 570)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:40.44,wD:37.40,(6.63,1.27,;6.63,-.27,;8.13,-.59,;5.29,-1.04,;3.91,-.3,;2.58,-1.07,;1.81,.27,;2.58,1.6,;.27,.27,;2.58,-2.61,;1.24,-3.38,;-.09,-2.61,;-.09,-1.07,;-1.42,-.3,;-2.76,-1.07,;-4.09,-.3,;-5.42,-1.07,;-6.76,-.3,;-6.76,1.24,;-5.42,2.01,;-4.09,1.24,;-8.09,2.01,;-8.09,3.55,;-9.43,4.32,;-10.81,3.58,;-12.14,4.35,;-10.76,2.01,;-9.43,1.24,;-2.81,-2.63,;-1.42,-3.38,;-4.14,-3.4,;-5.47,-4.17,;-3.37,-4.74,;-4.91,-2.07,;3.91,-3.38,;5.24,-2.61,;6.58,-3.38,;7.91,-2.61,;9.25,-3.38,;10.58,-2.61,;10.58,-1.07,;11.91,-.3,;9.25,-.3,;7.91,-1.07,)|
Show InChI InChI=1S/C31H45F3N8O2/c1-19(2)26-29(36-20-4-7-23(43)8-5-20)39-30(27(38-26)28(35)44)37-21-6-9-25(24(18-21)31(32,33)34)42-12-10-22(11-13-42)41-16-14-40(3)15-17-41/h6,9,18-20,22-23,43H,4-5,7-8,10-17H2,1-3H3,(H2,35,44)(H2,36,37,39)/t20-,23-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.660n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of FLT3 protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Examp...


US Patent US8969336 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9GZW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144326
PNG
(US8969336, 570)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:40.44,wD:37.40,(6.63,1.27,;6.63,-.27,;8.13,-.59,;5.29,-1.04,;3.91,-.3,;2.58,-1.07,;1.81,.27,;2.58,1.6,;.27,.27,;2.58,-2.61,;1.24,-3.38,;-.09,-2.61,;-.09,-1.07,;-1.42,-.3,;-2.76,-1.07,;-4.09,-.3,;-5.42,-1.07,;-6.76,-.3,;-6.76,1.24,;-5.42,2.01,;-4.09,1.24,;-8.09,2.01,;-8.09,3.55,;-9.43,4.32,;-10.81,3.58,;-12.14,4.35,;-10.76,2.01,;-9.43,1.24,;-2.81,-2.63,;-1.42,-3.38,;-4.14,-3.4,;-5.47,-4.17,;-3.37,-4.74,;-4.91,-2.07,;3.91,-3.38,;5.24,-2.61,;6.58,-3.38,;7.91,-2.61,;9.25,-3.38,;10.58,-2.61,;10.58,-1.07,;11.91,-.3,;9.25,-.3,;7.91,-1.07,)|
Show InChI InChI=1S/C31H45F3N8O2/c1-19(2)26-29(36-20-4-7-23(43)8-5-20)39-30(27(38-26)28(35)44)37-21-6-9-25(24(18-21)31(32,33)34)42-12-10-22(11-13-42)41-16-14-40(3)15-17-41/h6,9,18-20,22-23,43H,4-5,7-8,10-17H2,1-3H3,(H2,35,44)(H2,36,37,39)/t20-,23-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.510n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)


BindingDB Entry DOI: 10.7270/Q2NV9GZW
More data for this
Ligand-Target Pair