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SMILES: COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(n[nH]3)C3CC3)c2n1

InChI Key: InChIKey=HRXHRVGEOCMYJD-GOSISDBHSA-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 5 hits for monomerid = 127869   
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))
BDBM127869
PNG
(US10251889, Example 242 | US10758542, Example 242 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(n[nH]3)C3CC3)c2n1 |r|
Show InChI InChI=1S/C23H23FN8O2/c1-34-23-15(9-14(24)11-25-23)18-3-2-7-31(18)20-6-8-32-21(28-20)16(12-26-32)22(33)27-19-10-17(29-30-19)13-4-5-13/h6,8-13,18H,2-5,7H2,1H3,(H2,27,29,30,33)/t18-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.90n/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))
BDBM127869
PNG
(US10251889, Example 242 | US10758542, Example 242 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(n[nH]3)C3CC3)c2n1 |r|
Show InChI InChI=1S/C23H23FN8O2/c1-34-23-15(9-14(24)11-25-23)18-3-2-7-31(18)20-6-8-32-21(28-20)16(12-26-32)22(33)27-19-10-17(29-30-19)13-4-5-13/h6,8-13,18H,2-5,7H2,1H3,(H2,27,29,30,33)/t18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.90n/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))
BDBM127869
PNG
(US10251889, Example 242 | US10758542, Example 242 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(n[nH]3)C3CC3)c2n1 |r|
Show InChI InChI=1S/C23H23FN8O2/c1-34-23-15(9-14(24)11-25-23)18-3-2-7-31(18)20-6-8-32-21(28-20)16(12-26-32)22(33)27-19-10-17(29-30-19)13-4-5-13/h6,8-13,18H,2-5,7H2,1H3,(H2,27,29,30,33)/t18-/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 8.90n/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))
BDBM127869
PNG
(US10251889, Example 242 | US10758542, Example 242 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(n[nH]3)C3CC3)c2n1 |r|
Show InChI InChI=1S/C23H23FN8O2/c1-34-23-15(9-14(24)11-25-23)18-3-2-7-31(18)20-6-8-32-21(28-20)16(12-26-32)22(33)27-19-10-17(29-30-19)13-4-5-13/h6,8-13,18H,2-5,7H2,1H3,(H2,27,29,30,33)/t18-/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 8.90n/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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127869
PNG
(US10251889, Example 242 | US10758542, Example 242 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(n[nH]3)C3CC3)c2n1 |r|
Show InChI InChI=1S/C23H23FN8O2/c1-34-23-15(9-14(24)11-25-23)18-3-2-7-31(18)20-6-8-32-21(28-20)16(12-26-32)22(33)27-19-10-17(29-30-19)13-4-5-13/h6,8-13,18H,2-5,7H2,1H3,(H2,27,29,30,33)/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 8.90n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...


J Med Chem 50: 1876-85 (2007)


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