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BDBM340172 (S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimidazo[1,5-a]pyrazin-1-yl)- N-(thiazol-2-yl)benzamide::US10239883, Example 101::US10934296, Example 101::US9758524, Example 101

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C

InChI Key: InChIKey=BQGRYJYLKCLQOX-INIZCTEOSA-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 = 340172   
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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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 US10934296 (2021)

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


(Homo sapiens (Human))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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
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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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
Protein cereblon/Tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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
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
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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
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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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
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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/m0/s1
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n/an/an/an/a<10n/an/an/an/a



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))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/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