BDBM50065812 CHEMBL544793::N-(3-Aminomethyl-phenyl)-pyridine-2-carboxamidine

SMILES: NCc1cccc(c1)N=C(N)c1ccccn1

InChI Key: InChIKey=LGMPWSAIZBFUPS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50065812   

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))	BDBM50065812 (CHEMBL544793 | N-(3-Aminomethyl-phenyl)-pyridine-2...) Show SMILES NCc1cccc(c1)N=C(N)c1ccccn1 |w:8.8| Show InChI InChI=1S/C13H14N4/c14-9-10-4-3-5-11(8-10)17-13(15)12-6-1-2-7-16-12/h1-8H,9,14H2,(H2,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human neuronal nitric oxide synthase (nNOS) isoenzyme.				J Med Chem 41: 2858-71 (1998) Article DOI: 10.1021/jm980072p BindingDB Entry DOI: 10.7270/Q2862H4X
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50065812 (CHEMBL544793 | N-(3-Aminomethyl-phenyl)-pyridine-2...) Show SMILES NCc1cccc(c1)N=C(N)c1ccccn1 |w:8.8| Show InChI InChI=1S/C13H14N4/c14-9-10-4-3-5-11(8-10)17-13(15)12-6-1-2-7-16-12/h1-8H,9,14H2,(H2,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human endothelial nitric oxide synthase (eNOS) isoenzyme.				J Med Chem 41: 2858-71 (1998) Article DOI: 10.1021/jm980072p BindingDB Entry DOI: 10.7270/Q2862H4X
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50065812 (CHEMBL544793 | N-(3-Aminomethyl-phenyl)-pyridine-2...) Show SMILES NCc1cccc(c1)N=C(N)c1ccccn1 |w:8.8| Show InChI InChI=1S/C13H14N4/c14-9-10-4-3-5-11(8-10)17-13(15)12-6-1-2-7-16-12/h1-8H,9,14H2,(H2,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.				J Med Chem 41: 2858-71 (1998) Article DOI: 10.1021/jm980072p BindingDB Entry DOI: 10.7270/Q2862H4X
					More data for this Ligand-Target Pair