BDBM291683 1-(4-(((6-amino-5-(4-(pyridin-4-yloxy)phenyl)pyrimidin-4-yl)amino)methyl)piperidin-1-yl)prop-2-en-1-one ::US10413562, Compound A97::US9580449, Example A97

SMILES: Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccncc2)cc1

InChI Key: InChIKey=YMJCJOSTNRHERU-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 291683   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM291683 (1-(4-(((6-amino-5-(4-(pyridin-4-yloxy)phenyl)pyrim...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C24H26N6O2/c1-2-21(31)30-13-9-17(10-14-30)15-27-24-22(23(25)28-16-29-24)18-3-5-19(6-4-18)32-20-7-11-26-12-8-20/h2-8,11-12,16-17H,1,9-10,13-15H2,(H3,25,27,28,29)	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	<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))	BDBM291683 (1-(4-(((6-amino-5-(4-(pyridin-4-yloxy)phenyl)pyrim...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C24H26N6O2/c1-2-21(31)30-13-9-17(10-14-30)15-27-24-22(23(25)28-16-29-24)18-3-5-19(6-4-18)32-20-7-11-26-12-8-20/h2-8,11-12,16-17H,1,9-10,13-15H2,(H3,25,27,28,29)	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	730	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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291683 (1-(4-(((6-amino-5-(4-(pyridin-4-yloxy)phenyl)pyrim...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C24H26N6O2/c1-2-21(31)30-13-9-17(10-14-30)15-27-24-22(23(25)28-16-29-24)18-3-5-19(6-4-18)32-20-7-11-26-12-8-20/h2-8,11-12,16-17H,1,9-10,13-15H2,(H3,25,27,28,29)	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	<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