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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C

InChI Key: InChIKey=WCSLENALJUQVRH-UHFFFAOYSA-N

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 = 340148   
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))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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 (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))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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)


BindingDB Entry DOI: 10.7270/Q27947T2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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 US9758524 (2017)


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


(Homo sapiens (Human))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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 US9758524 (2017)


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


(Homo sapiens (Human))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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n/an/an/an/a<10n/an/an/an/a



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))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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n/an/an/an/a>1.00E+3n/an/an/an/a



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))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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n/an/an/an/a>1.00E+3n/an/an/an/a



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))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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n/an/an/an/a>1.00E+3n/an/an/an/a



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))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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)


BindingDB Entry DOI: 10.7270/Q27947T2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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)


BindingDB Entry DOI: 10.7270/Q27947T2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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)


BindingDB Entry DOI: 10.7270/Q27947T2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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)


BindingDB Entry DOI: 10.7270/Q27947T2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM340148
PNG
(US10239883, Example 37 | US10934296, Example 37 | ...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
Show InChI InChI=1S/C27H27N7O2/c1-2-22(35)33-16-7-3-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-5-6-14-29-21/h2,5-6,9-15,17,20H,1,3-4,7-8,16H2,(H2,28,30)(H,29,31,36)
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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