BDBM50065823 CHEMBL555794::N-(3-Aminomethyl-phenyl)-2-methylsulfanyl-acetamidine

SMILES: CSCC(N)=Nc1cccc(CN)c1

InChI Key: InChIKey=PYGPVCGDWRVSFT-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 = 50065823   

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))	BDBM50065823 (CHEMBL555794 | N-(3-Aminomethyl-phenyl)-2-methylsu...) Show SMILES CSCC(N)=Nc1cccc(CN)c1 |w:5.5| Show InChI InChI=1S/C10H15N3S/c1-14-7-10(12)13-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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))	BDBM50065823 (CHEMBL555794 | N-(3-Aminomethyl-phenyl)-2-methylsu...) Show SMILES CSCC(N)=Nc1cccc(CN)c1 |w:5.5| Show InChI InChI=1S/C10H15N3S/c1-14-7-10(12)13-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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))	BDBM50065823 (CHEMBL555794 | N-(3-Aminomethyl-phenyl)-2-methylsu...) Show SMILES CSCC(N)=Nc1cccc(CN)c1 |w:5.5| Show InChI InChI=1S/C10H15N3S/c1-14-7-10(12)13-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	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