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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM127634'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM127634
PNG
(US10251889, Example 7 | US10758542, Example 7 | US...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)|
Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.450n/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 US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127634
PNG
(US10251889, Example 7 | US10758542, Example 7 | US...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)|
Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1
PDB
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US Patent
n/an/a 0.450n/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 US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127634
PNG
(US10251889, Example 7 | US10758542, Example 7 | US...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)|
Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1
PDB
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.450n/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 US10758542 (2020)


BindingDB Entry DOI: 10.7270/Q2RB77PD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127634
PNG
(US10251889, Example 7 | US10758542, Example 7 | US...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)|
Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.450n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


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


US Patent US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127634
PNG
(US10251889, Example 7 | US10758542, Example 7 | US...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)|
Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 107n/an/an/an/an/an/a



St. Jude Research Hospital



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 ...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair