Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM250047'   

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))	BDBM250047 (US10005782, Compound 169 | US9447106, 169 | US9556...) Show SMILES COc1c(Cl)cc(cc1Cl)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H21Cl2N5O3/c1-3-18(31)28-16-7-5-4-6-13(16)17-8-9-27-23-19(22(26)32)20(29-30(17)23)12-10-14(24)21(33-2)15(25)11-12/h3-7,10-11,17,27H,1,8-9H2,2H3,(H2,26,32)(H,28,31)	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	0.150	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))	BDBM250047 (US10005782, Compound 169 | US9447106, 169 | US9556...) Show SMILES COc1c(Cl)cc(cc1Cl)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H21Cl2N5O3/c1-3-18(31)28-16-7-5-4-6-13(16)17-8-9-27-23-19(22(26)32)20(29-30(17)23)12-10-14(24)21(33-2)15(25)11-12/h3-7,10-11,17,27H,1,8-9H2,2H3,(H2,26,32)(H,28,31)	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	0.150	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))	BDBM250047 (US10005782, Compound 169 | US9447106, 169 | US9556...) Show SMILES COc1c(Cl)cc(cc1Cl)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C Show InChI InChI=1S/C23H21Cl2N5O3/c1-3-18(31)28-16-7-5-4-6-13(16)17-8-9-27-23-19(22(26)32)20(29-30(17)23)12-10-14(24)21(33-2)15(25)11-12/h3-7,10-11,17,27H,1,8-9H2,2H3,(H2,26,32)(H,28,31)	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	0.150	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