BDBM220128 US9278100, 11

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

InChI Key: InChIKey=UBDKHMQBZNCDSH-ZRGXPQFDSA-N

Data: 5 IC50

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 5 hits for monomerid = 220128   

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))	BDBM220128 (US9278100, 11) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(C)ncnc12 |r| Show InChI InChI=1S/C29H32N6O2/c1-21-27-28(22-13-15-25(16-14-22)37-24-10-5-4-6-11-24)32-35(29(27)31-20-30-21)19-23-9-7-18-34(23)26(36)12-8-17-33(2)3/h4-6,8,10-16,20,23H,7,9,17-19H2,1-3H3/b12-8+/t23-/m1/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	0.920	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))	BDBM220128 (US9278100, 11) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(C)ncnc12 |r| Show InChI InChI=1S/C29H32N6O2/c1-21-27-28(22-13-15-25(16-14-22)37-24-10-5-4-6-11-24)32-35(29(27)31-20-30-21)19-23-9-7-18-34(23)26(36)12-8-17-33(2)3/h4-6,8,10-16,20,23H,7,9,17-19H2,1-3H3/b12-8+/t23-/m1/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	6.89E+3	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))	BDBM220128 (US9278100, 11) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(C)ncnc12 |r| Show InChI InChI=1S/C29H32N6O2/c1-21-27-28(22-13-15-25(16-14-22)37-24-10-5-4-6-11-24)32-35(29(27)31-20-30-21)19-23-9-7-18-34(23)26(36)12-8-17-33(2)3/h4-6,8,10-16,20,23H,7,9,17-19H2,1-3H3/b12-8+/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 Lck (Homo sapiens (Human))	BDBM220128 (US9278100, 11) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(C)ncnc12 |r| Show InChI InChI=1S/C29H32N6O2/c1-21-27-28(22-13-15-25(16-14-22)37-24-10-5-4-6-11-24)32-35(29(27)31-20-30-21)19-23-9-7-18-34(23)26(36)12-8-17-33(2)3/h4-6,8,10-16,20,23H,7,9,17-19H2,1-3H3/b12-8+/t23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.43	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))	BDBM220128 (US9278100, 11) Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(C)ncnc12 |r| Show InChI InChI=1S/C29H32N6O2/c1-21-27-28(22-13-15-25(16-14-22)37-24-10-5-4-6-11-24)32-35(29(27)31-20-30-21)19-23-9-7-18-34(23)26(36)12-8-17-33(2)3/h4-6,8,10-16,20,23H,7,9,17-19H2,1-3H3/b12-8+/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.9	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