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BDBM127782 US8791123, 155::US9782415, Example 155::US9796724, Example 155

SMILES: COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1

InChI Key: InChIKey=YLAKIDRGVDYWAA-OAHLLOKOSA-N

Data: 6 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 6 hits for monomerid = 127782   
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))
BDBM127782
PNG
(US8791123, 155 | US9782415, Example 155 | US979672...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r|
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127782
PNG
(US8791123, 155 | US9782415, Example 155 | US979672...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r|
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
JAK2 (aa 808-1132)


(Homo sapiens (Human))
BDBM127782
PNG
(US8791123, 155 | US9782415, Example 155 | US979672...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r|
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
PDB

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent




US Patent US9796724 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127782
PNG
(US8791123, 155 | US9782415, Example 155 | US979672...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r|
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent




US Patent US9782415 (2017)

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


(Homo sapiens (Human))
BDBM127782
PNG
(US8791123, 155 | US9782415, Example 155 | US979672...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r|
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent




US Patent US9796724 (2017)

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


(Homo sapiens (Human))
BDBM127782
PNG
(US8791123, 155 | US9782415, Example 155 | US979672...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r|
Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent




US Patent US9782415 (2017)

More data for this
Ligand-Target Pair