BDBM50065827 CHEMBL538021::N-(4-Hydroxyaminomethyl-phenyl)-acetamidine

SMILES: CC(N)=Nc1ccc(CNO)cc1

InChI Key: InChIKey=BPUMUQZHVYJHBP-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 = 50065827   

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))	BDBM50065827 (CHEMBL538021 | N-(4-Hydroxyaminomethyl-phenyl)-ace...) Show SMILES CC(N)=Nc1ccc(CNO)cc1 |w:3.3| Show InChI InChI=1S/C9H13N3O/c1-7(10)12-9-4-2-8(3-5-9)6-11-13/h2-5,11,13H,6H2,1H3,(H2,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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 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))	BDBM50065827 (CHEMBL538021 | N-(4-Hydroxyaminomethyl-phenyl)-ace...) Show SMILES CC(N)=Nc1ccc(CNO)cc1 |w:3.3| Show InChI InChI=1S/C9H13N3O/c1-7(10)12-9-4-2-8(3-5-9)6-11-13/h2-5,11,13H,6H2,1H3,(H2,10,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+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))	BDBM50065827 (CHEMBL538021 | N-(4-Hydroxyaminomethyl-phenyl)-ace...) Show SMILES CC(N)=Nc1ccc(CNO)cc1 |w:3.3| Show InChI InChI=1S/C9H13N3O/c1-7(10)12-9-4-2-8(3-5-9)6-11-13/h2-5,11,13H,6H2,1H3,(H2,10,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+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