Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM255357'   

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))	BDBM255357 (US9481682, 107) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN2[C@H](CCC2=O)CO1 |r| Show InChI InChI=1S/C26H22F3N7O3/c27-26(28,29)16-7-8-31-19(11-16)33-25(38)15-3-1-14(2-4-15)21-22-23(30)32-9-10-35(22)24(34-21)18-12-36-17(13-39-18)5-6-20(36)37/h1-4,7-11,17-18H,5-6,12-13H2,(H2,30,32)(H,31,33,38)/t17-,18-/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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9481682 (2016) BindingDB Entry DOI: 10.7270/Q2959GGM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM255357 (US9481682, 107) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN2[C@H](CCC2=O)CO1 |r| Show InChI InChI=1S/C26H22F3N7O3/c27-26(28,29)16-7-8-31-19(11-16)33-25(38)15-3-1-14(2-4-15)21-22-23(30)32-9-10-35(22)24(34-21)18-12-36-17(13-39-18)5-6-20(36)37/h1-4,7-11,17-18H,5-6,12-13H2,(H2,30,32)(H,31,33,38)/t17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length BTK (unknown origin) expressed in baculovirus infected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-NH2 peptide as su...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127390 BindingDB Entry DOI: 10.7270/Q22N55Z9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM255357 (US9481682, 107) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN2[C@H](CCC2=O)CO1 |r| Show InChI InChI=1S/C26H22F3N7O3/c27-26(28,29)16-7-8-31-19(11-16)33-25(38)15-3-1-14(2-4-15)21-22-23(30)32-9-10-35(22)24(34-21)18-12-36-17(13-39-18)5-6-20(36)37/h1-4,7-11,17-18H,5-6,12-13H2,(H2,30,32)(H,31,33,38)/t17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-hu...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127390 BindingDB Entry DOI: 10.7270/Q22N55Z9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM255357 (US9481682, 107) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN2[C@H](CCC2=O)CO1 |r| Show InChI InChI=1S/C26H22F3N7O3/c27-26(28,29)16-7-8-31-19(11-16)33-25(38)15-3-1-14(2-4-15)21-22-23(30)32-9-10-35(22)24(34-21)18-12-36-17(13-39-18)5-6-20(36)37/h1-4,7-11,17-18H,5-6,12-13H2,(H2,30,32)(H,31,33,38)/t17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in human whole blood assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with anti-...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127390 BindingDB Entry DOI: 10.7270/Q22N55Z9
					More data for this Ligand-Target Pair