Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50123553'   

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))	BDBM50123553 (CHEMBL3622189) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)c21)C(N)=O Show InChI InChI=1S/C33H30FN5O3/c1-19-23(4-3-5-27(19)37-32(41)20-6-9-22(34)10-7-20)24-12-13-26(31(35)40)30-29(24)25-11-8-21(18-28(25)36-30)33(42)39-16-14-38(2)15-17-39/h3-13,18,36H,14-17H2,1-2H3,(H2,35,40)(H,37,41)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
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Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50123553 (CHEMBL3622189) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)c21)C(N)=O Show InChI InChI=1S/C33H30FN5O3/c1-19-23(4-3-5-27(19)37-32(41)20-6-9-22(34)10-7-20)24-12-13-26(31(35)40)30-29(24)25-11-8-21(18-28(25)36-30)33(42)39-16-14-38(2)15-17-39/h3-13,18,36H,14-17H2,1-2H3,(H2,35,40)(H,37,41)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant BTK expressed in baculovirus using fluoresceinated peptide substrate after 60 mins by fluoresc...				J Med Chem 59: 7915-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00722 BindingDB Entry DOI: 10.7270/Q24Q7ZGM
					More data for this Ligand-Target Pair