BDBM50271464 CHEMBL455310::N-(3-Aminomethyl-phenyl)-2-fluoro-acetamidine

SMILES: NCc1cccc(NC(=N)CF)c1

InChI Key: InChIKey=AIYKCDKFCIADCI-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 = 50271464   

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
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50271464 (CHEMBL455310 | N-(3-Aminomethyl-phenyl)-2-fluoro-a...) Show SMILES NCc1cccc(NC(=N)CF)c1 Show InChI InChI=1S/C9H12FN3/c10-5-9(12)13-8-3-1-2-7(4-8)6-11/h1-4H,5-6,11H2,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline				Bioorg Med Chem 16: 6193-206 (2008) Article DOI: 10.1016/j.bmc.2008.04.036 BindingDB Entry DOI: 10.7270/Q2611040
					More data for this Ligand-Target Pair