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BDBM332916 US10196390, Compound I-205::US10336752, Compound 7::US11040967, Compound 7

SMILES: Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCCC2)c2C(=O)NCc2n1

InChI Key: InChIKey=SQXFNQLIHVJNCQ-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 332916   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332916
PNG
(US10196390, Compound I-205 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O/c23-14-4-3-5-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-7-6-13(11-25-19)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9,12H2,(H,26,30)(H,25,27,28)
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<10n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...


US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM332916
PNG
(US10196390, Compound I-205 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O/c23-14-4-3-5-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-7-6-13(11-25-19)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9,12H2,(H,26,30)(H,25,27,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent




US Patent US10196390 (2019)


BindingDB Entry DOI: 10.7270/Q22809Q4
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332916
PNG
(US10196390, Compound I-205 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O/c23-14-4-3-5-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-7-6-13(11-25-19)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9,12H2,(H,26,30)(H,25,27,28)
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n/an/a 390n/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...


US Patent US10336752 (2019)


BindingDB Entry DOI: 10.7270/Q28054Z6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM332916
PNG
(US10196390, Compound I-205 | US10336752, Compound ...)
Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCCC2)c2C(=O)NCc2n1
Show InChI InChI=1S/C22H19F2N5O/c23-14-4-3-5-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-7-6-13(11-25-19)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9,12H2,(H,26,30)(H,25,27,28)
PDB

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n/an/a 390n/an/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Compounds were serially diluted in DMSO then further diluted in 1 kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...


US Patent US11040967 (2021)

More data for this
Ligand-Target Pair