null

SMILES: CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

InChI Key: InChIKey=DINVXRZOGZOFRM-AKERNLMBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 191616   

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))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.33	n/a	n/a	n/a	n/a	n/a	n/a
PHARMACYCLICS LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...				US Patent US9181263 (2015) BindingDB Entry DOI: 10.7270/Q2765D5Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
PHARMACYCLICS LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...				US Patent US9181263 (2015) BindingDB Entry DOI: 10.7270/Q2765D5Z
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	698	n/a	n/a	n/a	n/a	n/a	n/a
PHARMACYCLICS LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...				US Patent US9181263 (2015) BindingDB Entry DOI: 10.7270/Q2765D5Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.97	n/a	n/a	n/a	n/a	n/a	n/a
PHARMACYCLICS LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...				US Patent US9181263 (2015) BindingDB Entry DOI: 10.7270/Q2765D5Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacyclics LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...				US Patent US9278100 (2016) BindingDB Entry DOI: 10.7270/Q20C4TMX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.33	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacyclics LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...				US Patent US9278100 (2016) BindingDB Entry DOI: 10.7270/Q20C4TMX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacyclics LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...				US Patent US9278100 (2016) BindingDB Entry DOI: 10.7270/Q20C4TMX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	698	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacyclics LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...				US Patent US9278100 (2016) BindingDB Entry DOI: 10.7270/Q20C4TMX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.97	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacyclics LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...				US Patent US9278100 (2016) BindingDB Entry DOI: 10.7270/Q20C4TMX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM191616 (US9181263, 12 | US9278100, 12) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(34)18-35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PHARMACYCLICS LLC US Patent					Assay Description IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...				US Patent US9181263 (2015) BindingDB Entry DOI: 10.7270/Q2765D5Z
					More data for this Ligand-Target Pair