BDBM340087 US10934296, Example 40::US9758524, Example 40

SMILES: CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

InChI Key: InChIKey=QRQJIVNEEQTIGU-NRFANRHFSA-N

Data: 10 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 10 hits for monomerid = 340087   

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))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/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	505	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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/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))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/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
Protein cereblon/Tyrosine-protein kinase SRC (Homo sapiens (Human))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/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
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/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))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/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))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/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	55	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))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 Lyn (Homo sapiens (Human))	BDBM340087 (US10934296, Example 40 | US9758524, Example 40) Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/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