BDBM394256 US9975882, Example 47

SMILES: CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1

InChI Key: InChIKey=ABSANYKJICYHQP-UHFFFAOYSA-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 = 394256   

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))	BDBM394256 (US9975882, Example 47) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 Show InChI InChI=1S/C25H24F3N7O2/c1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28/h3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM394256 (US9975882, Example 47) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 Show InChI InChI=1S/C25H24F3N7O2/c1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28/h3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37)	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Homo sapiens (Human))	BDBM394256 (US9975882, Example 47) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 Show InChI InChI=1S/C25H24F3N7O2/c1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28/h3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TEC (Homo sapiens (Human))	BDBM394256 (US9975882, Example 47) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 Show InChI InChI=1S/C25H24F3N7O2/c1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28/h3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM394256 (US9975882, Example 47) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 Show InChI InChI=1S/C25H24F3N7O2/c1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28/h3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Kalmar					Assay Description Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) k...				J Med Chem 52: 2708-15 (2009) BindingDB Entry DOI: 10.7270/Q2BP0531
					More data for this Ligand-Target Pair