Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50233645'   

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))	BDBM50233645 (CHEMBL4097010) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H28FN5O3/c1-39(2)33(42)21-10-8-20(9-11-21)31-37-30-25(12-14-36-32(30)38-31)24-4-3-5-28(26(24)18-41)40-15-13-22-16-23(19-6-7-19)17-27(35)29(22)34(40)43/h3-5,8-17,19,41H,6-7,18H2,1-2H3,(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50233645 (CHEMBL4097010) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C34H28FN5O3/c1-39(2)33(42)21-10-8-20(9-11-21)31-37-30-25(12-14-36-32(30)38-31)24-4-3-5-28(26(24)18-41)40-15-13-22-16-23(19-6-7-19)17-27(35)29(22)34(40)43/h3-5,8-17,19,41H,6-7,18H2,1-2H3,(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...				Bioorg Med Chem 23: 4344-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.023 BindingDB Entry DOI: 10.7270/Q25T3NR9
					More data for this Ligand-Target Pair