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SMILES: O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)F

InChI Key: InChIKey=GMWUABQJDWHYLA-KBXCAEBGSA-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 = 136620   
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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM136620
PNG
(US10005783, 37 | US10047097, 37 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)F |r|
Show InChI InChI=1S/C22H23F3N6O2/c23-13-3-4-15(20(24)25)16(10-13)18-2-1-7-30(18)19-6-9-31-21(28-19)17(11-26-31)27-22(33)29-8-5-14(32)12-29/h3-4,6,9-11,14,18,20,32H,1-2,5,7-8,12H2,(H,27,33)/t14-,18+/m0/s1
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Similars

US Patent
n/an/a 8.70n/an/an/an/a7.5n/a



Array BioPharma Inc.

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...


US Patent US8865698 (2014)


BindingDB Entry DOI: 10.7270/Q2B856TM
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM136620
PNG
(US10005783, 37 | US10047097, 37 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)F |r|
Show InChI InChI=1S/C22H23F3N6O2/c23-13-3-4-15(20(24)25)16(10-13)18-2-1-7-30(18)19-6-9-31-21(28-19)17(11-26-31)27-22(33)29-8-5-14(32)12-29/h3-4,6,9-11,14,18,20,32H,1-2,5,7-8,12H2,(H,27,33)/t14-,18+/m0/s1
PDB
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.70n/an/an/an/a7.5n/a



Array BioPharma Inc.

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...


US Patent US10047097 (2018)


BindingDB Entry DOI: 10.7270/Q2000442
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM136620
PNG
(US10005783, 37 | US10047097, 37 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)F |r|
Show InChI InChI=1S/C22H23F3N6O2/c23-13-3-4-15(20(24)25)16(10-13)18-2-1-7-30(18)19-6-9-31-21(28-19)17(11-26-31)27-22(33)29-8-5-14(32)12-29/h3-4,6,9-11,14,18,20,32H,1-2,5,7-8,12H2,(H,27,33)/t14-,18+/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM136620
PNG
(US10005783, 37 | US10047097, 37 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)F |r|
Show InChI InChI=1S/C22H23F3N6O2/c23-13-3-4-15(20(24)25)16(10-13)18-2-1-7-30(18)19-6-9-31-21(28-19)17(11-26-31)27-22(33)29-8-5-14(32)12-29/h3-4,6,9-11,14,18,20,32H,1-2,5,7-8,12H2,(H,27,33)/t14-,18+/m0/s1
PDB
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UniProtKB/SwissProt

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UniChem

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US Patent
n/an/a 8.70n/an/an/an/an/an/a



Wyeth Research



Assay Description
Trk enzymatic selectivity was assessed using Omnia Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) and...


Bioorg Med Chem 17: 7802-15 (2009)


BindingDB Entry DOI: 10.7270/Q25H7JK7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM136620
PNG
(US10005783, 37 | US10047097, 37 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)F |r|
Show InChI InChI=1S/C22H23F3N6O2/c23-13-3-4-15(20(24)25)16(10-13)18-2-1-7-30(18)19-6-9-31-21(28-19)17(11-26-31)27-22(33)29-8-5-14(32)12-29/h3-4,6,9-11,14,18,20,32H,1-2,5,7-8,12H2,(H,27,33)/t14-,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 8.70n/an/an/an/an/an/a



ARRAY BIOPHARMA INC.

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...


US Patent US10774085 (2020)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor [441-796]


(Homo sapiens (Human))
BDBM136620
PNG
(US10005783, 37 | US10047097, 37 | US10774085, Exam...)
Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)F |r|
Show InChI InChI=1S/C22H23F3N6O2/c23-13-3-4-15(20(24)25)16(10-13)18-2-1-7-30(18)19-6-9-31-21(28-19)17(11-26-31)27-22(33)29-8-5-14(32)12-29/h3-4,6,9-11,14,18,20,32H,1-2,5,7-8,12H2,(H,27,33)/t14-,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.70n/an/an/an/a7.5n/a



Array BioPharma, Inc.

US Patent


Assay Description
Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Vari...


US Patent US9676783 (2017)


BindingDB Entry DOI: 10.7270/Q26H4FK5
More data for this
Ligand-Target Pair