BDBM33676 2-amino-6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile::2-amino-6-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile::2-amino-6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-p-cumenyl-dinicotinonitrile::2-azanyl-6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile::MLS000536671::SMR000155593::cid_2318166

SMILES: CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCCC2)c1C#N

InChI Key: InChIKey=JAKMBNUDCZLPEN-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 = 33676   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prothrombin (Human)	BDBM33676 (cid_2318166 | 2-azanyl-6-[2-(azepan-1-yl)-2-oxidan...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.5	23
TBA									Citation and Details
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