Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM259417'   

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))	BDBM259417 (US10457647, Example 16 | US11180460, Example 16 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCC1(CC1)NC(=O)C=C Show InChI InChI=1S/C28H27F2N5O3/c1-3-23(36)35-28(8-9-28)13-38-25-24(32-14-33-26(25)31)20-11-18(29)12-22(15(20)2)34-27(37)19-7-6-17(10-21(19)30)16-4-5-16/h3,6-7,10-12,14,16H,1,4-5,8-9,13H2,2H3,(H,34,37)(H,35,36)(H2,31,32,33)	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	15	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))	BDBM259417 (US10457647, Example 16 | US11180460, Example 16 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCC1(CC1)NC(=O)C=C Show InChI InChI=1S/C28H27F2N5O3/c1-3-23(36)35-28(8-9-28)13-38-25-24(32-14-33-26(25)31)20-11-18(29)12-22(15(20)2)34-27(37)19-7-6-17(10-21(19)30)16-4-5-16/h3,6-7,10-12,14,16H,1,4-5,8-9,13H2,2H3,(H,34,37)(H,35,36)(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	15	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))	BDBM259417 (US10457647, Example 16 | US11180460, Example 16 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCC1(CC1)NC(=O)C=C Show InChI InChI=1S/C28H27F2N5O3/c1-3-23(36)35-28(8-9-28)13-38-25-24(32-14-33-26(25)31)20-11-18(29)12-22(15(20)2)34-27(37)19-7-6-17(10-21(19)30)16-4-5-16/h3,6-7,10-12,14,16H,1,4-5,8-9,13H2,2H3,(H,34,37)(H,35,36)(H2,31,32,33)	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	15	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))	BDBM259417 (US10457647, Example 16 | US11180460, Example 16 | ...) Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C2CC2)cc(F)cc1-c1ncnc(N)c1OCC1(CC1)NC(=O)C=C Show InChI InChI=1S/C28H27F2N5O3/c1-3-23(36)35-28(8-9-28)13-38-25-24(32-14-33-26(25)31)20-11-18(29)12-22(15(20)2)34-27(37)19-7-6-17(10-21(19)30)16-4-5-16/h3,6-7,10-12,14,16H,1,4-5,8-9,13H2,2H3,(H,34,37)(H,35,36)(H2,31,32,33)	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	15	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