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BDBM340153 (S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imidazo[1,5- a]pyrazin-1-yl)-N-(4-fluoropyridin-2- yl)benzamide::US10239883, Example 44::US10934296, Example 44::US9758524, Example 44

SMILES: CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12

InChI Key: InChIKey=DTVFQCKQZGTINJ-FQEVSTJZSA-N

Data: 15 EC50

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 15 hits for monomerid = 340153   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US9758524 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US10934296 (2021)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Research Laboratories



Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


J Med Chem 48: 6169-73 (2005)


BindingDB Entry DOI: 10.7270/Q20R9RQ4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Research Laboratories



Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


J Med Chem 48: 6169-73 (2005)


BindingDB Entry DOI: 10.7270/Q20R9RQ4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Research Laboratories



Assay Description
Src enzyme (Millipore catalog #14-326), is diluted to 0.8 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


J Med Chem 48: 6169-73 (2005)


BindingDB Entry DOI: 10.7270/Q20R9RQ4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Research Laboratories



Assay Description
FynT enzyme (Biomol catalog #SE-287), is diluted to 0.5 μg/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2...


J Med Chem 48: 6169-73 (2005)


BindingDB Entry DOI: 10.7270/Q20R9RQ4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Research Laboratories



Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


J Med Chem 48: 6169-73 (2005)


BindingDB Entry DOI: 10.7270/Q20R9RQ4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US10934296 (2021)

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


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US10934296 (2021)

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


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Btk enzyme (H...


US Patent US10934296 (2021)

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


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (M...


US Patent US10934296 (2021)

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


(Homo sapiens (Human))
BDBM340153
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24FN7O2/c1-2-5-22(36)34-14-4-3-6-20(34)26-33-23(24-25(29)31-13-15-35(24)26)17-7-9-18(10-8-17)27(37)32-21-16-19(28)11-12-30-21/h7-13,15-16,20H,3-4,6,14H2,1H3,(H2,29,31)(H,30,32,37)/t20-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (M...


US Patent US9758524 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DPQ
More data for this
Ligand-Target Pair