BDBM50065841 CHEMBL545025::N-[4-(Acetimidoylamino-methyl)-phenyl]-acetamidine

SMILES: CC(=N)NCc1ccc(cc1)N=C(C)N

InChI Key: InChIKey=YCZMMLWYZCTQIU-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 = 50065841   

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))	BDBM50065841 (CHEMBL545025 | N-[4-(Acetimidoylamino-methyl)-phen...) Show SMILES CC(=N)NCc1ccc(cc1)N=C(C)N |w:11.11| Show InChI InChI=1S/C11H16N4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h3-6H,7H2,1-2H3,(H2,12,14)(H2,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	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, inducible (Homo sapiens (Human))	BDBM50065841 (CHEMBL545025 | N-[4-(Acetimidoylamino-methyl)-phen...) Show SMILES CC(=N)NCc1ccc(cc1)N=C(C)N |w:11.11| Show InChI InChI=1S/C11H16N4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h3-6H,7H2,1-2H3,(H2,12,14)(H2,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	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
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50065841 (CHEMBL545025 | N-[4-(Acetimidoylamino-methyl)-phen...) Show SMILES CC(=N)NCc1ccc(cc1)N=C(C)N |w:11.11| Show InChI InChI=1S/C11H16N4/c1-8(12)14-7-10-3-5-11(6-4-10)15-9(2)13/h3-6H,7H2,1-2H3,(H2,12,14)(H2,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.50E+3	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