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BDBM1773 US8476284, 4::US8497277, 13::US8497277, 4::US9133201, 13::US9133201, 14::US9133201, 4

SMILES: Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=XYFPWWZEPKGCCK-UHFFFAOYSA-N

Data: 2 KI  6 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 1773   
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
SRC


(Homo sapiens (Human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(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)
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US Patent
14n/an/an/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.


Citation and Details
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(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)
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US Patent
97n/an/an/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.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(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)
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US Patent
n/an/a 0.720n/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.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(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)
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US Patent
n/an/a 1.40n/an/an/an/an/an/a



PHARMACYCLICS, INC.

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(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)
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US Patent
n/an/a 0.720n/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.


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(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)
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US Patent
n/an/a 0.720n/an/an/an/an/an/a



PHARMACYCLICS, INC.

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(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)
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US Patent
n/an/a<0.5n/an/an/an/an/an/a



PHARMACYCLICS, INC.

US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(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)
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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.


Citation and Details
More data for this
Ligand-Target Pair