BDBM350330 (S,E)-5-(1-((1-(4-(dimethylamino)but-2-enoyl)pyrrolidin-3-yl)oxy)isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one::US10307414, Example 14::US9801872, Example 14

SMILES: CN(C)C\C=C\C(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1

InChI Key: InChIKey=LYLIIVFLUFYWEH-PXTSUWAFSA-N

Data: 2 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 2 hits for monomerid = 350330   

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))	BDBM350330 ((S,E)-5-(1-((1-(4-(dimethylamino)but-2-enoyl)pyrro...) Show SMILES CN(C)C\C=C\C(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r| Show InChI InChI=1S/C21H22N6O3/c1-26(2)10-5-8-18(28)27-11-9-15(13-27)30-20-16-7-4-3-6-14(16)12-17(22-20)19-23-21(29)25-24-19/h3-8,12,15H,9-11,13H2,1-2H3/b8-5+/t15-/m0/s1	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	6.31	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...				Bioorg Med Chem Lett 19: 1600-3 (2009) BindingDB Entry DOI: 10.7270/Q2TQ63WG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350330 ((S,E)-5-(1-((1-(4-(dimethylamino)but-2-enoyl)pyrro...) Show SMILES CN(C)C\C=C\C(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r| Show InChI InChI=1S/C21H22N6O3/c1-26(2)10-5-8-18(28)27-11-9-15(13-27)30-20-16-7-4-3-6-14(16)12-17(22-20)19-23-21(29)25-24-19/h3-8,12,15H,9-11,13H2,1-2H3/b8-5+/t15-/m0/s1	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	6.31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...				US Patent US9801872 (2017) BindingDB Entry DOI: 10.7270/Q2BC41PD
					More data for this Ligand-Target Pair