Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM250058'   

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))	BDBM250058 (US10005782, Compound 183 | US9447106, 183 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccc(F)cc2F)cc1 Show InChI InChI=1S/C27H27F2N5O3/c1-2-23(35)33-13-10-16(11-14-33)21-9-12-31-27-24(26(30)36)25(32-34(21)27)17-3-6-19(7-4-17)37-22-8-5-18(28)15-20(22)29/h2-8,15-16,21,31H,1,9-14H2,(H2,30,36)	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	1.20	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				US Patent US9447106 (2016) BindingDB Entry DOI: 10.7270/Q21Z439C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250058 (US10005782, Compound 183 | US9447106, 183 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccc(F)cc2F)cc1 Show InChI InChI=1S/C27H27F2N5O3/c1-2-23(35)33-13-10-16(11-14-33)21-9-12-31-27-24(26(30)36)25(32-34(21)27)17-3-6-19(7-4-17)37-22-8-5-18(28)15-20(22)29/h2-8,15-16,21,31H,1,9-14H2,(H2,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250058 (US10005782, Compound 183 | US9447106, 183 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccc(F)cc2F)cc1 Show InChI InChI=1S/C27H27F2N5O3/c1-2-23(35)33-13-10-16(11-14-33)21-9-12-31-27-24(26(30)36)25(32-34(21)27)17-3-6-19(7-4-17)37-22-8-5-18(28)15-20(22)29/h2-8,15-16,21,31H,1,9-14H2,(H2,30,36)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				Bioorg Med Chem 17: 7755-68 (2009) BindingDB Entry DOI: 10.7270/Q29889BD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250058 (US10005782, Compound 183 | US9447106, 183 | US9556...) Show SMILES NC(=O)c1c2NCCC(C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccc(F)cc2F)cc1 Show InChI InChI=1S/C27H27F2N5O3/c1-2-23(35)33-13-10-16(11-14-33)21-9-12-31-27-24(26(30)36)25(32-34(21)27)17-3-6-19(7-4-17)37-22-8-5-18(28)15-20(22)29/h2-8,15-16,21,31H,1,9-14H2,(H2,30,36)	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	1.20	n/a	n/a	n/a	n/a	n/a	25
BeiGene, Ltd. US Patent					Assay Description Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...				US Patent US9556188 (2017) BindingDB Entry DOI: 10.7270/Q26Q2082
					More data for this Ligand-Target Pair