BDBM50292198 2-(6-Amino-3-cyano-1-oxy-pyridin-2-yl)-N-(2-aminomethyl-5-chloro-benzyl)-acetamide::CHEMBL196178

SMILES: NCc1ccc(Cl)cc1CNC(=O)Cc1c(ccc(N)[n+]1[O-])C#N

InChI Key: InChIKey=JBCPIHCEMGFHQE-UHFFFAOYSA-N

Data: 1 KI

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 = 50292198   

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
Prothrombin (Homo sapiens (Human))	BDBM50292198 (2-(6-Amino-3-cyano-1-oxy-pyridin-2-yl)-N-(2-aminom...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cc1c(ccc(N)[n+]1[O-])C#N Show InChI InChI=1S/C16H16ClN5O2/c17-13-3-1-10(7-18)12(5-13)9-21-16(23)6-14-11(8-19)2-4-15(20)22(14)24/h1-5H,6-7,9,18,20H2,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against thrombin in human plasma				Bioorg Med Chem Lett 15: 2771-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.110 BindingDB Entry DOI: 10.7270/Q2PN96C6
					More data for this Ligand-Target Pair