Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM143182'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM143182 (US11040980, Example 7 | US8940744, 7 | US9266895, ...) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC(O)C1 |r,w:3.2| Show InChI InChI=1S/C32H33FN8O3/c1-32(2,40-17-22(42)18-40)14-20(15-34)31(43)39-12-6-7-21(16-39)41-30-27(29(35)36-19-37-30)28(38-41)25-11-10-24(13-26(25)33)44-23-8-4-3-5-9-23/h3-5,8-11,13-14,19,21-22,42H,6-7,12,16-18H2,1-2H3,(H2,35,36,37)/t21-/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...				US Patent US8940744 (2015) BindingDB Entry DOI: 10.7270/Q2348J3X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM143182 (US11040980, Example 7 | US8940744, 7 | US9266895, ...) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC(O)C1 |r,w:3.2| Show InChI InChI=1S/C32H33FN8O3/c1-32(2,40-17-22(42)18-40)14-20(15-34)31(43)39-12-6-7-21(16-39)41-30-27(29(35)36-19-37-30)28(38-41)25-11-10-24(13-26(25)33)44-23-8-4-3-5-9-23/h3-5,8-11,13-14,19,21-22,42H,6-7,12,16-18H2,1-2H3,(H2,35,36,37)/t21-/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KD2212
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM143182 (US11040980, Example 7 | US8940744, 7 | US9266895, ...) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC(O)C1 |r,w:3.2| Show InChI InChI=1S/C32H33FN8O3/c1-32(2,40-17-22(42)18-40)14-20(15-34)31(43)39-12-6-7-21(16-39)41-30-27(29(35)36-19-37-30)28(38-41)25-11-10-24(13-26(25)33)44-23-8-4-3-5-9-23/h3-5,8-11,13-14,19,21-22,42H,6-7,12,16-18H2,1-2H3,(H2,35,36,37)/t21-/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Genentech					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...				J Med Chem 52: 3300-7 (2009) BindingDB Entry DOI: 10.7270/Q2057J86
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM143182 (US11040980, Example 7 | US8940744, 7 | US9266895, ...) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC(O)C1 |r,w:3.2| Show InChI InChI=1S/C32H33FN8O3/c1-32(2,40-17-22(42)18-40)14-20(15-34)31(43)39-12-6-7-21(16-39)41-30-27(29(35)36-19-37-30)28(38-41)25-11-10-24(13-26(25)33)44-23-8-4-3-5-9-23/h3-5,8-11,13-14,19,21-22,42H,6-7,12,16-18H2,1-2H3,(H2,35,36,37)/t21-/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	25
Principia Biopharma Inc. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...				US Patent US9266895 (2016) BindingDB Entry DOI: 10.7270/Q2WD3ZDX
					More data for this Ligand-Target Pair