Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM291434'   

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))	BDBM291434 (4-(4-(((1-acryloylpiperidin-4-yl)methyl)amino)-6-a...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H28N6O2/c1-2-22(33)32-14-12-18(13-15-32)16-28-25-23(24(27)29-17-30-25)19-8-10-20(11-9-19)26(34)31-21-6-4-3-5-7-21/h2-11,17-18H,1,12-16H2,(H,31,34)(H3,27,28,29,30)	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	>1.00E+3	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))	BDBM291434 (4-(4-(((1-acryloylpiperidin-4-yl)methyl)amino)-6-a...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H28N6O2/c1-2-22(33)32-14-12-18(13-15-32)16-28-25-23(24(27)29-17-30-25)19-8-10-20(11-9-19)26(34)31-21-6-4-3-5-7-21/h2-11,17-18H,1,12-16H2,(H,31,34)(H3,27,28,29,30)	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	>1.00E+3	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291434 (4-(4-(((1-acryloylpiperidin-4-yl)methyl)amino)-6-a...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H28N6O2/c1-2-22(33)32-14-12-18(13-15-32)16-28-25-23(24(27)29-17-30-25)19-8-10-20(11-9-19)26(34)31-21-6-4-3-5-7-21/h2-11,17-18H,1,12-16H2,(H,31,34)(H3,27,28,29,30)	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	1.20E+3	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