BDBM291675 1-(4-(((6-amino-5-(2,5-difluoro-4-phenoxyphenyl)pyrimidin-4-yl)amino)methyl)piperidin-1-yl)prop-2-en-1-one ::US10413562, Compound A87::US9580449, Example A87

SMILES: Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1cc(F)c(Oc2ccccc2)cc1F

InChI Key: InChIKey=HVMAOPSGZLQIEU-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 = 291675   

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))	BDBM291675 (1-(4-(((6-amino-5-(2,5-difluoro-4-phenoxyphenyl)py...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1cc(F)c(Oc2ccccc2)cc1F |(-1.33,-6.93,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-4,-2.31,;-5.33,-1.54,;-5.33,,;-4,.77,;-4,2.31,;-5.33,3.08,;-6.67,2.31,;-6.67,.77,;-5.33,4.62,;-4,5.39,;-6.67,5.39,;-6.67,6.93,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;5.33,-1.54,;1.33,-3.85,;,-4.62,;,-6.16,)| Show InChI InChI=1S/C25H25F2N5O2/c1-2-22(33)32-10-8-16(9-11-32)14-29-25-23(24(28)30-15-31-25)18-12-20(27)21(13-19(18)26)34-17-6-4-3-5-7-17/h2-7,12-13,15-16H,1,8-11,14H2,(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))	BDBM291675 (1-(4-(((6-amino-5-(2,5-difluoro-4-phenoxyphenyl)py...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1cc(F)c(Oc2ccccc2)cc1F |(-1.33,-6.93,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-4,-2.31,;-5.33,-1.54,;-5.33,,;-4,.77,;-4,2.31,;-5.33,3.08,;-6.67,2.31,;-6.67,.77,;-5.33,4.62,;-4,5.39,;-6.67,5.39,;-6.67,6.93,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;5.33,-1.54,;1.33,-3.85,;,-4.62,;,-6.16,)| Show InChI InChI=1S/C25H25F2N5O2/c1-2-22(33)32-10-8-16(9-11-32)14-29-25-23(24(28)30-15-31-25)18-12-20(27)21(13-19(18)26)34-17-6-4-3-5-7-17/h2-7,12-13,15-16H,1,8-11,14H2,(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	160	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))	BDBM291675 (1-(4-(((6-amino-5-(2,5-difluoro-4-phenoxyphenyl)py...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1cc(F)c(Oc2ccccc2)cc1F |(-1.33,-6.93,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-4,-2.31,;-5.33,-1.54,;-5.33,,;-4,.77,;-4,2.31,;-5.33,3.08,;-6.67,2.31,;-6.67,.77,;-5.33,4.62,;-4,5.39,;-6.67,5.39,;-6.67,6.93,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;5.33,-1.54,;1.33,-3.85,;,-4.62,;,-6.16,)| Show InChI InChI=1S/C25H25F2N5O2/c1-2-22(33)32-10-8-16(9-11-32)14-29-25-23(24(28)30-15-31-25)18-12-20(27)21(13-19(18)26)34-17-6-4-3-5-7-17/h2-7,12-13,15-16H,1,8-11,14H2,(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