null

SMILES: Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)c(F)c1F

InChI Key: InChIKey=FTDCKGSFTILWRS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 291676   

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))	BDBM291676 (1-(4-(((6-amino-5-(2,3-difluoro-4-phenoxyphenyl)py...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)c(F)c1F |(-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,;2.67,-4.62,;,-4.62,;,-6.16,)| Show InChI InChI=1S/C25H25F2N5O2/c1-2-20(33)32-12-10-16(11-13-32)14-29-25-21(24(28)30-15-31-25)18-8-9-19(23(27)22(18)26)34-17-6-4-3-5-7-17/h2-9,15-16H,1,10-14H2,(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	<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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291676 (1-(4-(((6-amino-5-(2,3-difluoro-4-phenoxyphenyl)py...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)c(F)c1F |(-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,;2.67,-4.62,;,-4.62,;,-6.16,)| Show InChI InChI=1S/C25H25F2N5O2/c1-2-20(33)32-12-10-16(11-13-32)14-29-25-21(24(28)30-15-31-25)18-8-9-19(23(27)22(18)26)34-17-6-4-3-5-7-17/h2-9,15-16H,1,10-14H2,(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	<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