null

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1

InChI Key: InChIKey=MMKFZQKFYVCCPB-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 340146   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/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))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM340146 (US10239883, Example 35 | US10934296, Example 35 | ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r| Show InChI InChI=1S/C28H25N7O2/c29-26-25-24(19-9-11-20(12-10-19)28(37)32-22-5-1-2-14-30-22)33-27(35(25)17-15-31-26)21-4-3-16-34(21)23(36)13-8-18-6-7-18/h1-2,5,9-12,14-15,17-18,21H,3-4,6-7,16H2,(H2,29,31)(H,30,32,37)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/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