BDBM362401 US9834554, Example 28

SMILES: COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1

InChI Key: InChIKey=ZZPFOEKQNKUESQ-LJQANCHMSA-N

Data: 1 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 1 hit for monomerid = 362401   

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))	BDBM362401 (US9834554, Example 28) Show SMILES COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1 |r| Show InChI InChI=1S/C29H31N7O4/c1-29(16-40-17-29)28(38)35-13-3-4-19(15-35)24-22-10-12-32-26(30)25(22)36(34-24)20-7-5-18(6-8-20)27(37)33-23-14-21(39-2)9-11-31-23/h5-12,14,19H,3-4,13,15-17H2,1-2H3,(H2,30,32)(H,31,33,37)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9834554 (2017) BindingDB Entry DOI: 10.7270/Q2K64MCV
					More data for this Ligand-Target Pair