null

SMILES: CC(C)Oc1ccc(C)c(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 467979   

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))	BDBM467979 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(5-isopropoxy-2...) Show SMILES CC(C)Oc1ccc(C)c(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.53,2.41,;-9.19,3.18,;-9.19,4.72,;-7.86,2.41,;-6.53,3.18,;-6.53,4.72,;-5.19,5.49,;-3.86,4.72,;-2.52,5.49,;-3.86,3.18,;-5.19,2.41,;-2.52,2.41,;-2.52,.87,;-3.86,.1,;-3.86,-1.44,;-2.52,-2.21,;-1.19,-1.44,;.3,-1.84,;1.29,-.16,;2.83,-.16,;3.6,1.18,;3.6,-1.49,;5.14,-1.49,;5.91,-.16,;7.45,-.16,;8.22,-1.49,;7.45,-2.83,;5.91,-2.83,;8.22,-4.16,;7.45,-5.49,;9.76,-4.16,;10.53,-2.83,;.14,.87,;.14,2.41,;-1.19,3.18,;-1.19,4.72,;-1.19,.1,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00044 BindingDB Entry DOI: 10.7270/Q25D8WM5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [386-659] (Homo sapiens (Human))	BDBM467979 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(5-isopropoxy-2...) Show SMILES CC(C)Oc1ccc(C)c(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.53,2.41,;-9.19,3.18,;-9.19,4.72,;-7.86,2.41,;-6.53,3.18,;-6.53,4.72,;-5.19,5.49,;-3.86,4.72,;-2.52,5.49,;-3.86,3.18,;-5.19,2.41,;-2.52,2.41,;-2.52,.87,;-3.86,.1,;-3.86,-1.44,;-2.52,-2.21,;-1.19,-1.44,;.3,-1.84,;1.29,-.16,;2.83,-.16,;3.6,1.18,;3.6,-1.49,;5.14,-1.49,;5.91,-.16,;7.45,-.16,;8.22,-1.49,;7.45,-2.83,;5.91,-2.83,;8.22,-4.16,;7.45,-5.49,;9.76,-4.16,;10.53,-2.83,;.14,.87,;.14,2.41,;-1.19,3.18,;-1.19,4.72,;-1.19,.1,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent lab...				US Patent US10822348 (2020) BindingDB Entry DOI: 10.7270/Q22V2K6B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM467979 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(5-isopropoxy-2...) Show SMILES CC(C)Oc1ccc(C)c(c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,(-10.53,2.41,;-9.19,3.18,;-9.19,4.72,;-7.86,2.41,;-6.53,3.18,;-6.53,4.72,;-5.19,5.49,;-3.86,4.72,;-2.52,5.49,;-3.86,3.18,;-5.19,2.41,;-2.52,2.41,;-2.52,.87,;-3.86,.1,;-3.86,-1.44,;-2.52,-2.21,;-1.19,-1.44,;.3,-1.84,;1.29,-.16,;2.83,-.16,;3.6,1.18,;3.6,-1.49,;5.14,-1.49,;5.91,-.16,;7.45,-.16,;8.22,-1.49,;7.45,-2.83,;5.91,-2.83,;8.22,-4.16,;7.45,-5.49,;9.76,-4.16,;10.53,-2.83,;.14,.87,;.14,2.41,;-1.19,3.18,;-1.19,4.72,;-1.19,.1,)| Show InChI	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	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description TBD				US Patent US10800792 (2020) BindingDB Entry DOI: 10.7270/Q2N019K7
					More data for this Ligand-Target Pair