Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM143199'   

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))	BDBM143199 (US11040980, Example 19 | US8940744, 19 | US9266895...) Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC2(COC2)C1 |r| Show InChI InChI=1S/C34H35FN8O3/c1-33(2,42-17-34(18-42)19-45-20-34)14-22(15-36)32(44)41-12-6-7-23(16-41)43-31-28(30(37)38-21-39-31)29(40-43)26-11-10-25(13-27(26)35)46-24-8-4-3-5-9-24/h3-5,8-11,13-14,21,23H,6-7,12,16-20H2,1-2H3,(H2,37,38,39)/b22-14+/t23-/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	1.5	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))	BDBM143199 (US11040980, Example 19 | US8940744, 19 | US9266895...) Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC2(COC2)C1 |r| Show InChI InChI=1S/C34H35FN8O3/c1-33(2,42-17-34(18-42)19-45-20-34)14-22(15-36)32(44)41-12-6-7-23(16-41)43-31-28(30(37)38-21-39-31)29(40-43)26-11-10-25(13-27(26)35)46-24-8-4-3-5-9-24/h3-5,8-11,13-14,21,23H,6-7,12,16-20H2,1-2H3,(H2,37,38,39)/b22-14+/t23-/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	1.5	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))	BDBM143199 (US11040980, Example 19 | US8940744, 19 | US9266895...) Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC2(COC2)C1 |r| Show InChI InChI=1S/C34H35FN8O3/c1-33(2,42-17-34(18-42)19-45-20-34)14-22(15-36)32(44)41-12-6-7-23(16-41)43-31-28(30(37)38-21-39-31)29(40-43)26-11-10-25(13-27(26)35)46-24-8-4-3-5-9-24/h3-5,8-11,13-14,21,23H,6-7,12,16-20H2,1-2H3,(H2,37,38,39)/b22-14+/t23-/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	1.5	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))	BDBM143199 (US11040980, Example 19 | US8940744, 19 | US9266895...) Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC2(COC2)C1 |r| Show InChI InChI=1S/C34H35FN8O3/c1-33(2,42-17-34(18-42)19-45-20-34)14-22(15-36)32(44)41-12-6-7-23(16-41)43-31-28(30(37)38-21-39-31)29(40-43)26-11-10-25(13-27(26)35)46-24-8-4-3-5-9-24/h3-5,8-11,13-14,21,23H,6-7,12,16-20H2,1-2H3,(H2,37,38,39)/b22-14+/t23-/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	1.5	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