null

SMILES: Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1

InChI Key: InChIKey=DKUQUSFIVMBDBW-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 340133   

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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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) BindingDB Entry DOI: 10.7270/Q27947T2
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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) BindingDB Entry DOI: 10.7270/Q27947T2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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) BindingDB Entry DOI: 10.7270/Q27947T2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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) BindingDB Entry DOI: 10.7270/Q27947T2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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) BindingDB Entry DOI: 10.7270/Q27947T2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM340133 (US10239883, Example 21 | US10934296, Example 21 | ...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r| Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/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