Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM288589'   

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))	BDBM288589 (US10087188, Example 200 | trans-4-{(2R,5S)-2-[8-am...) Show SMILES C[C@H]1CO[C@H](CN1[C@H]1CC[C@@](C)(CC1)C(O)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12 |r,wU:4.18,7.7,1.0,10.11,wD:10.15,(-1,-10.1,;-1.4,-8.61,;-2.89,-8.21,;-3.29,-6.72,;-2.2,-5.63,;-.71,-6.03,;-.31,-7.52,;1.18,-7.92,;2.27,-6.83,;3.75,-7.23,;4.15,-8.72,;5.24,-7.63,;3.06,-9.81,;1.57,-9.41,;5.64,-9.12,;6.73,-8.03,;6.04,-10.6,;-2.6,-4.15,;-1.69,-2.9,;-2.6,-1.66,;-2.05,.48,;-.57,.88,;-.17,2.37,;-1.26,3.46,;-2.74,3.06,;-3.14,1.57,;-4.63,1.17,;-.86,4.94,;-1.95,6.03,;.63,5.34,;1.03,6.83,;2.52,7.23,;2.91,8.72,;1.83,9.81,;.34,9.41,;-.06,7.92,;4.4,9.12,;4.8,10.6,;5.49,8.03,;5.89,9.51,;-4.06,-2.13,;-5.39,-1.36,;-5.39,.18,;-6.73,-2.13,;-6.73,-3.67,;-5.39,-4.44,;-5.39,-5.98,;-4.06,-3.67,)| Show InChI InChI=1S/C32H32ClF4N7O4/c1-16-15-48-22(14-43(16)19-5-8-31(2,9-6-19)30(46)47)28-42-25(26-27(38)40-13-23(33)44(26)28)20-4-3-17(11-21(20)34)29(45)41-24-12-18(7-10-39-24)32(35,36)37/h3-4,7,10-13,16,19,22H,5-6,8-9,14-15H2,1-2H3,(H2,38,40)(H,46,47)(H,39,41,45)/t16-,19-,22+,31-/m0/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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
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