Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM326212'   

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))	BDBM326212 (3-[(3R)-1-but-2- ynoylpiperidin-3-yl]-1-(4- phenox...) Show SMILES CC#CC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12 Show InChI InChI=1S/C27H25N5O2/c1-2-7-24(33)31-17-6-8-19(18-31)25-23-15-16-29-27(28)26(23)32(30-25)20-11-13-22(14-12-20)34-21-9-4-3-5-10-21/h3-5,9-16,19H,6,8,17-18H2,1H3,(H2,28,29)/t19-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in as...				US Patent US9637486 (2017) BindingDB Entry DOI: 10.7270/Q2NK3H4H
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