Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM303588'   

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))	BDBM303588 (US10138229, Example 100 | US10875852, Example 100) Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 Show InChI InChI=1S/C28H32N6O3/c1-32(2)14-6-9-23(35)33-17-28(18-33)15-20(16-28)34-26(29)24(27(30)36)25(31-34)19-10-12-22(13-11-19)37-21-7-4-3-5-8-21/h3-13,20H,14-18,29H2,1-2H3,(H2,30,36)/b9-6+	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303588 (US10138229, Example 100 | US10875852, Example 100) Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 Show InChI InChI=1S/C28H32N6O3/c1-32(2)14-6-9-23(35)33-17-28(18-33)15-20(16-28)34-26(29)24(27(30)36)25(31-34)19-10-12-22(13-11-19)37-21-7-4-3-5-8-21/h3-13,20H,14-18,29H2,1-2H3,(H2,30,36)/b9-6+	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair