BDBM212108 US9290485, 140

SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccnn3)cc2)c1

InChI Key: InChIKey=AWOCNKRELUFWTO-UHFFFAOYSA-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 = 212108   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM212108 (US9290485, 140) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccnn3)cc2)c1 Show InChI InChI=1S/C22H24N8O/c1-15-9-21(23)27-16(2)20(15)11-24-22(31)19-10-26-30(14-19)13-18-5-3-17(4-6-18)12-29-8-7-25-28-29/h3-10,14H,11-13H2,1-2H3,(H2,23,27)(H,24,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	7.8	25
NOVARTIS AG US Patent					Assay Description Enzymatic reactions were conducted in ⿿assay buffer⿿, comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For th...				US Patent US9290485 (2016) BindingDB Entry DOI: 10.7270/Q26H4G73
					More data for this Ligand-Target Pair