Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM259410'   

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))	BDBM259410 (US10457647, Example 9 | US11180460, Example 9 | US...) Show SMILES COC\C=C\C(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C29H31F2N5O4/c1-17-22(26-27(28(32)34-16-33-26)40-12-10-36(2)25(37)5-4-11-39-3)14-20(30)15-24(17)35-29(38)21-9-8-19(13-23(21)31)18-6-7-18/h4-5,8-9,13-16,18H,6-7,10-12H2,1-3H3,(H,35,38)(H2,32,33,34)/b5-4+	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	10	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US9512084 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259410 (US10457647, Example 9 | US11180460, Example 9 | US...) Show SMILES COC\C=C\C(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C29H31F2N5O4/c1-17-22(26-27(28(32)34-16-33-26)40-12-10-36(2)25(37)5-4-11-39-3)14-20(30)15-24(17)35-29(38)21-9-8-19(13-23(21)31)18-6-7-18/h4-5,8-9,13-16,18H,6-7,10-12H2,1-3H3,(H,35,38)(H2,32,33,34)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PV6Q9F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259410 (US10457647, Example 9 | US11180460, Example 9 | US...) Show SMILES COC\C=C\C(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C29H31F2N5O4/c1-17-22(26-27(28(32)34-16-33-26)40-12-10-36(2)25(37)5-4-11-39-3)14-20(30)15-24(17)35-29(38)21-9-8-19(13-23(21)31)18-6-7-18/h4-5,8-9,13-16,18H,6-7,10-12H2,1-3H3,(H,35,38)(H2,32,33,34)/b5-4+	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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				Citation and Details BindingDB Entry DOI: 10.7270/Q20R9SKR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259410 (US10457647, Example 9 | US11180460, Example 9 | US...) Show SMILES COC\C=C\C(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C Show InChI InChI=1S/C29H31F2N5O4/c1-17-22(26-27(28(32)34-16-33-26)40-12-10-36(2)25(37)5-4-11-39-3)14-20(30)15-24(17)35-29(38)21-9-8-19(13-23(21)31)18-6-7-18/h4-5,8-9,13-16,18H,6-7,10-12H2,1-3H3,(H,35,38)(H2,32,33,34)/b5-4+	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...				US Patent US10457647 (2019) BindingDB Entry DOI: 10.7270/Q2KH0QPQ
					More data for this Ligand-Target Pair