BDBM350345 (S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-methoxyisoquinolin-3-yl)-1H-1,2,4-triazol-5(4H)-one::US10307414, Example 29::US9801872, Example 29

SMILES: COc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1

InChI Key: InChIKey=KONPAICLCMAXRI-LBPRGKRZSA-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 = 350345   

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))	BDBM350345 ((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-meth...) Show SMILES COc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1 |r| Show InChI InChI=1S/C19H18N6O3/c1-3-15(26)25-8-7-12(10-25)20-18-16-11(5-4-6-14(16)28-2)9-13(21-18)17-22-19(27)24-23-17/h3-6,9,12H,1,7-8,10H2,2H3,(H,20,21)/t12-/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	<2.51	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))	BDBM350345 ((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-meth...) Show SMILES COc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1 |r| Show InChI InChI=1S/C19H18N6O3/c1-3-15(26)25-8-7-12(10-25)20-18-16-11(5-4-6-14(16)28-2)9-13(21-18)17-22-19(27)24-23-17/h3-6,9,12H,1,7-8,10H2,2H3,(H,20,21)/t12-/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	<2.51	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