Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM255300'   

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))	BDBM255300 (US9481682, 49) Show SMILES C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H24F3N7O3/c1-14-19-7-6-17(13-37(19)26(39)40-14)24-35-21(22-23(31)33-10-11-36(22)24)15-2-4-16(5-3-15)25(38)34-20-12-18(8-9-32-20)27(28,29)30/h2-5,8-12,14,17,19H,6-7,13H2,1H3,(H2,31,33)(H,32,34,38)/t14-,17-,19+/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	0.110	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))	BDBM255300 (US9481682, 49) Show SMILES C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H24F3N7O3/c1-14-19-7-6-17(13-37(19)26(39)40-14)24-35-21(22-23(31)33-10-11-36(22)24)15-2-4-16(5-3-15)25(38)34-20-12-18(8-9-32-20)27(28,29)30/h2-5,8-12,14,17,19H,6-7,13H2,1H3,(H2,31,33)(H,32,34,38)/t14-,17-,19+/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	0.110	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))	BDBM255300 (US9481682, 49) Show SMILES C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H24F3N7O3/c1-14-19-7-6-17(13-37(19)26(39)40-14)24-35-21(22-23(31)33-10-11-36(22)24)15-2-4-16(5-3-15)25(38)34-20-12-18(8-9-32-20)27(28,29)30/h2-5,8-12,14,17,19H,6-7,13H2,1H3,(H2,31,33)(H,32,34,38)/t14-,17-,19+/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	3.20	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))	BDBM255300 (US9481682, 49) Show SMILES C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H24F3N7O3/c1-14-19-7-6-17(13-37(19)26(39)40-14)24-35-21(22-23(31)33-10-11-36(22)24)15-2-4-16(5-3-15)25(38)34-20-12-18(8-9-32-20)27(28,29)30/h2-5,8-12,14,17,19H,6-7,13H2,1H3,(H2,31,33)(H,32,34,38)/t14-,17-,19+/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	63	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