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BDBM1774 US10894048, Ref. Ex Comp. 1::US8476284, 13

SMILES: Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=XYFPWWZEPKGCCK-SFHVURJKSA-N

Data: 8 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 8 hits for monomerid = 1774   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM1774
PNG
(US10894048, Ref. Ex Comp. 1 | US8476284, 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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US Patent
n/an/a<0.5n/an/an/an/a7.4n/a



Pharmacyclics Inc

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8476284 (2013)


BindingDB Entry DOI: 10.7270/Q2CJ8C3G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM1774
PNG
(US10894048, Ref. Ex Comp. 1 | US8476284, 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Shaanxi University of Science & Technology

Curated by ChEMBL


Assay Description
Inhibition of LYN (unknown origin) by FRET assay


Eur J Med Chem 151: 315-326 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM1774
PNG
(US10894048, Ref. Ex Comp. 1 | US8476284, 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shaanxi University of Science & Technology

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin) by FRET assay


Eur J Med Chem 151: 315-326 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM1774
PNG
(US10894048, Ref. Ex Comp. 1 | US8476284, 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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US Patent
n/an/a 280n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences,...


US Patent US10894048 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM1774
PNG
(US10894048, Ref. Ex Comp. 1 | US8476284, 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Shaanxi University of Science & Technology

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin) by FRET assay


Eur J Med Chem 151: 315-326 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM1774
PNG
(US10894048, Ref. Ex Comp. 1 | US8476284, 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Shaanxi University of Science & Technology

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin) by FRET assay


Eur J Med Chem 151: 315-326 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM1774
PNG
(US10894048, Ref. Ex Comp. 1 | US8476284, 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin) after 60 mins by FRET assay


J Med Chem 63: 441-469 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00640
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM1774
PNG
(US10894048, Ref. Ex Comp. 1 | US8476284, 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Shaanxi University of Science & Technology

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin) by FRET assay


Eur J Med Chem 151: 315-326 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0
More data for this
Ligand-Target Pair