Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM303620'   

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))	BDBM303620 (US10138229, Example 132 | US10875852, Example 132) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(OC2CCCC2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:21.23,23.28,wD:23.32,(-4.39,3.06,;-4.39,1.52,;-5.73,.75,;-3.06,.75,;-3.06,-.79,;-4.39,-1.56,;-1.6,-1.27,;-.69,-.02,;-1.6,1.22,;-1.2,2.71,;.29,3.11,;.69,4.59,;-.4,5.68,;-0,7.17,;1.49,7.57,;2.39,6.32,;3.86,6.8,;3.86,8.34,;2.39,8.82,;-1.89,5.29,;-2.29,3.8,;-.83,-2.6,;.66,-3,;.26,-4.49,;-1.22,-4.09,;-.64,-5.74,;.26,-6.98,;1.73,-6.51,;1.73,-4.97,;3.06,-7.28,;3.06,-8.82,;4.39,-6.51,;5.73,-7.28,)| Show InChI InChI=1S/C25H31N5O3/c1-2-20(31)29-12-11-25(15-29)13-17(14-25)30-23(26)21(24(27)32)22(28-30)16-7-9-19(10-8-16)33-18-5-3-4-6-18/h2,7-10,17-18H,1,3-6,11-15,26H2,(H2,27,32)/t17-,25-	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	1.90	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))	BDBM303620 (US10138229, Example 132 | US10875852, Example 132) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(OC2CCCC2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:21.23,23.28,wD:23.32,(-4.39,3.06,;-4.39,1.52,;-5.73,.75,;-3.06,.75,;-3.06,-.79,;-4.39,-1.56,;-1.6,-1.27,;-.69,-.02,;-1.6,1.22,;-1.2,2.71,;.29,3.11,;.69,4.59,;-.4,5.68,;-0,7.17,;1.49,7.57,;2.39,6.32,;3.86,6.8,;3.86,8.34,;2.39,8.82,;-1.89,5.29,;-2.29,3.8,;-.83,-2.6,;.66,-3,;.26,-4.49,;-1.22,-4.09,;-.64,-5.74,;.26,-6.98,;1.73,-6.51,;1.73,-4.97,;3.06,-7.28,;3.06,-8.82,;4.39,-6.51,;5.73,-7.28,)| Show InChI InChI=1S/C25H31N5O3/c1-2-20(31)29-12-11-25(15-29)13-17(14-25)30-23(26)21(24(27)32)22(28-30)16-7-9-19(10-8-16)33-18-5-3-4-6-18/h2,7-10,17-18H,1,3-6,11-15,26H2,(H2,27,32)/t17-,25-	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	1.90	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