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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM97678'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97678
PNG
(US8476284, 9 | US8497277, 10 | US8497277, 9 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,26,27,28)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.580n/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 US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97678
PNG
(US8476284, 9 | US8497277, 10 | US8497277, 9 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,26,27,28)
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)


BindingDB Entry DOI: 10.7270/Q2765D5Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97678
PNG
(US8476284, 9 | US8497277, 10 | US8497277, 9 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,26,27,28)
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/an/an/an/an/an/a



Pharmacyclics LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...


US Patent US9278100 (2016)


BindingDB Entry DOI: 10.7270/Q20C4TMX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97678
PNG
(US8476284, 9 | US8497277, 10 | US8497277, 9 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,26,27,28)
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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. Measurements were performed in...


US Patent US9133201 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02KC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97678
PNG
(US8476284, 9 | US8497277, 10 | US8497277, 9 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,26,27,28)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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 US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97678
PNG
(US8476284, 9 | US8497277, 10 | US8497277, 9 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,26,27,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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