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SMILES: C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1

InChI Key: InChIKey=CTODOLASWASJRL-ZDUSSCGKSA-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 6 hits for monomerid = 130912   
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
Serine/threonine-protein kinase receptor R3


(Homo sapiens (Human))
BDBM130912
PNG
(US8822500, [1])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r|
Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 4.70n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM130912
PNG
(US8822500, [1])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r|
Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.14n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM130912
PNG
(US8822500, [1])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r|
Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3.53n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM130912
PNG
(US8822500, [1])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r|
Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.58n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM130912
PNG
(US8822500, [1])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r|
Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.205n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM130912
PNG
(US8822500, [1])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1 |r|
Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 2.06n/an/an/an/a7.5n/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)


BindingDB Entry DOI: 10.7270/Q2319TKV
More data for this
Ligand-Target Pair