Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM325806'   

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))	BDBM325806 ( (R)-(3-(7-amino-1-(4-phenoxyphenyl)-1H-pyrazolo[3...) Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12 Show InChI InChI=1S/C28H29N5O3/c1-28(17-35-18-28)27(34)32-15-5-6-19(16-32)24-23-13-14-30-26(29)25(23)33(31-24)20-9-11-22(12-10-20)36-21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-18H2,1H3,(H2,29,30)/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	1.70	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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