null

SMILES: CN(C)c1ccc2C(=O)N(CNc2c1)c1cccc(c1C)-c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(C)c1

InChI Key: InChIKey=YUHSJSUPLOJMDJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 111587   

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))	BDBM111587 (US8618098, II-1 | US8822457, II-1) Show SMILES CN(C)c1ccc2C(=O)N(CNc2c1)c1cccc(c1C)-c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C33H35N7O4/c1-21-25(6-5-7-29(21)40-20-35-27-17-24(37(2)3)9-10-26(27)32(40)42)23-16-28(33(43)38(4)19-23)36-30-11-8-22(18-34-30)31(41)39-12-14-44-15-13-39/h5-11,16-19,35H,12-15,20H2,1-4H3,(H,34,36)	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	22	n/a	n/a	n/a	n/a	7.2	n/a
Roche Palo Alto LLC US Patent					Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...				US Patent US8822457 (2014) BindingDB Entry DOI: 10.7270/Q2QR4VTB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111587 (US8618098, II-1 | US8822457, II-1) Show SMILES CN(C)c1ccc2C(=O)N(CNc2c1)c1cccc(c1C)-c1cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C33H35N7O4/c1-21-25(6-5-7-29(21)40-20-35-27-17-24(37(2)3)9-10-26(27)32(40)42)23-16-28(33(43)38(4)19-23)36-30-11-8-22(18-34-30)31(41)39-12-14-44-15-13-39/h5-11,16-19,35H,12-15,20H2,1-4H3,(H,34,36)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC US Patent					Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...				US Patent US8618098 (2013) BindingDB Entry DOI: 10.7270/Q2V69H8N
					More data for this Ligand-Target Pair