Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM255463'   

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))	BDBM255463 (US9481682, 214) Show SMILES Cc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:11.11,wD:14.20,(.87,-.84,;-.22,.25,;.18,1.73,;-.91,2.82,;-2.4,2.42,;-2.8,.94,;-4.28,1.33,;-1.71,-.15,;-2.1,-1.64,;-1.2,-2.89,;-2.1,-4.13,;-1.71,-5.62,;-2.8,-6.71,;-2.4,-8.2,;-.91,-8.6,;-.21,-9.97,;1.31,-9.73,;1.55,-8.21,;2.89,-7.44,;.18,-7.51,;-.22,-6.02,;-3.57,-3.66,;-4.9,-4.43,;-6.24,-3.66,;-6.24,-2.12,;-4.9,-1.35,;-4.9,.19,;-3.57,-2.12,;-.51,4.31,;-1.6,5.4,;.98,4.71,;1.38,6.2,;2.86,6.59,;3.26,8.08,;2.17,9.17,;.69,8.77,;.29,7.28,;4.75,8.48,;5.84,7.39,;6.24,8.88,;5.15,9.97,)| Show InChI InChI=1S/C28H25F4N7O2/c1-14-10-16(27(41)36-20-12-17(6-7-34-20)28(30,31)32)11-19(29)22(14)23-24-25(33)35-8-9-38(24)26(37-23)15-2-3-18-4-5-21(40)39(18)13-15/h6-12,15,18H,2-5,13H2,1H3,(H2,33,35)(H,34,36,41)/t15-,18+/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	2.20	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 US9481682 (2016) BindingDB Entry DOI: 10.7270/Q2959GGM
					More data for this Ligand-Target Pair