Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM291527'   

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))	BDBM291527 (N-(3-((5-(4-phenoxyphenyl)pyrimidin-4-yl)oxy)pheny...) Show SMILES C=CC(=O)Nc1cccc(Oc2ncncc2-c2ccc(Oc3ccccc3)cc2)c1 Show InChI InChI=1S/C25H19N3O3/c1-2-24(29)28-19-7-6-10-22(15-19)31-25-23(16-26-17-27-25)18-11-13-21(14-12-18)30-20-8-4-3-5-9-20/h2-17H,1H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKK...				J Med Chem 62: 7643-7655 (2019) Article DOI: 10.1021/acs.jmedchem.9b00794 BindingDB Entry DOI: 10.7270/Q21R6TXT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291527 (N-(3-((5-(4-phenoxyphenyl)pyrimidin-4-yl)oxy)pheny...) Show SMILES C=CC(=O)Nc1cccc(Oc2ncncc2-c2ccc(Oc3ccccc3)cc2)c1 Show InChI InChI=1S/C25H19N3O3/c1-2-24(29)28-19-7-6-10-22(15-19)31-25-23(16-26-17-27-25)18-11-13-21(14-12-18)30-20-8-4-3-5-9-20/h2-17H,1H2,(H,28,29)	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	<100	n/a	n/a	n/a	n/a	7.5	27
Merck Patent GmbH US Patent					Assay Description The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...				US Patent US9580449 (2017) BindingDB Entry DOI: 10.7270/Q28K7C4Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291527 (N-(3-((5-(4-phenoxyphenyl)pyrimidin-4-yl)oxy)pheny...) Show SMILES C=CC(=O)Nc1cccc(Oc2ncncc2-c2ccc(Oc3ccccc3)cc2)c1 Show InChI InChI=1S/C25H19N3O3/c1-2-24(29)28-19-7-6-10-22(15-19)31-25-23(16-26-17-27-25)18-11-13-21(14-12-18)30-20-8-4-3-5-9-20/h2-17H,1H2,(H,28,29)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair