Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM348596'   

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))	BDBM348596 (US10577374, Compound 319 | US9790229, Compound 319) Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3ccccc3S(=O)(=O)c3ccccc3)C2=O)c1F |r| Show InChI InChI=1S/C26H29FN6O3S/c27-23-24(28)29-17-30-25(23)32-14-6-8-18(16-32)33-15-7-12-21(26(33)34)31-20-11-4-5-13-22(20)37(35,36)19-9-2-1-3-10-19/h1-5,9-11,13,17-18,21,31H,6-8,12,14-16H2,(H2,28,29,30)/t18-,21?/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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound in...				US Patent US10577374 (2020) BindingDB Entry DOI: 10.7270/Q2805502
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM348596 (US10577374, Compound 319 | US9790229, Compound 319) Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3ccccc3S(=O)(=O)c3ccccc3)C2=O)c1F |r| Show InChI InChI=1S/C26H29FN6O3S/c27-23-24(28)29-17-30-25(23)32-14-6-8-18(16-32)33-15-7-12-21(26(33)34)31-20-11-4-5-13-22(20)37(35,36)19-9-2-1-3-10-19/h1-5,9-11,13,17-18,21,31H,6-8,12,14-16H2,(H2,28,29,30)/t18-,21?/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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Biogen MA Inc. US Patent					Assay Description The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...				US Patent US9790229 (2017) BindingDB Entry DOI: 10.7270/Q22809RK
					More data for this Ligand-Target Pair