Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM291631'   

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))	BDBM291631 ((4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)am...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C2=CCC2)c1-c1ccc(Oc2ccccc2)cc1 |t:17| Show InChI InChI=1S/C27H29N5O2/c28-25-24(20-9-11-23(12-10-20)34-22-7-2-1-3-8-22)26(31-18-30-25)29-17-19-13-15-32(16-14-19)27(33)21-5-4-6-21/h1-3,5,7-12,18-19H,4,6,13-17H2,(H3,28,29,30,31)	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	290	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC cells assessed as reduction in anti-IgM-stimulated CD69 expression on B cells preincubated for 60 mins followed by go...				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))	BDBM291631 ((4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)am...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C2=CCC2)c1-c1ccc(Oc2ccccc2)cc1 |t:17| Show InChI InChI=1S/C27H29N5O2/c28-25-24(20-9-11-23(12-10-20)34-22-7-2-1-3-8-22)26(31-18-30-25)29-17-19-13-15-32(16-14-19)27(33)21-5-4-6-21/h1-3,5,7-12,18-19H,4,6,13-17H2,(H3,28,29,30,31)	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	290	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))	BDBM291631 ((4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)am...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C2=CCC2)c1-c1ccc(Oc2ccccc2)cc1 |t:17| Show InChI InChI=1S/C27H29N5O2/c28-25-24(20-9-11-23(12-10-20)34-22-7-2-1-3-8-22)26(31-18-30-25)29-17-19-13-15-32(16-14-19)27(33)21-5-4-6-21/h1-3,5,7-12,18-19H,4,6,13-17H2,(H3,28,29,30,31)	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))	BDBM291631 ((4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)am...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C2=CCC2)c1-c1ccc(Oc2ccccc2)cc1 |t:17| Show InChI InChI=1S/C27H29N5O2/c28-25-24(20-9-11-23(12-10-20)34-22-7-2-1-3-8-22)26(31-18-30-25)29-17-19-13-15-32(16-14-19)27(33)21-5-4-6-21/h1-3,5,7-12,18-19H,4,6,13-17H2,(H3,28,29,30,31)	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