Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM174756'   

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))	BDBM174756 (US9688676, 44 (R)-4-(4-acetylpiperazin-1-yl)-2-(3-...) Show SMILES CC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:12.12| Show InChI InChI=1S/C36H40N8O4/c1-25(45)40-18-20-42(21-19-40)36(2,3)22-26(23-37)34(46)41-17-7-8-28(24-41)43-31-15-16-39-33(38)32(31)44(35(43)47)27-11-13-30(14-12-27)48-29-9-5-4-6-10-29/h4-6,9-16,22,28H,7-8,17-21,24H2,1-3H3,(H2,38,39)/t28-/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	3.30	n/a	n/a	n/a	n/a	n/a	25
PRINCIPIA BIOPHARMA INC. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of BTK kinase activity of a compound of the pre...				US Patent US9688676 (2017) BindingDB Entry DOI: 10.7270/Q2XD0ZVX
					More data for this Ligand-Target Pair