BDBM50226527 CHEMBL107251::N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE::N-(3-(aminomethyl)benzyl)acetimidamide::N-(3-Aminomethyl-benzyl)-acetamidine::N-(3-aminomethyl)benzylacetimidamide::N-[3-(aminomethyl)benzyl]ethanimidamide::N-[[3-(aminomethyl)phenyl]methyl]-ethanimidamide::[N-(3-aminomethyl)benzylactamidine]

SMILES: CC(N)=NCc1cccc(CN)c1

InChI Key: InChIKey=RODUKNYOEVZQPR-UHFFFAOYSA-N

Data: 1 KI  13 IC50

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 14 hits for monomerid = 50226527   

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))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)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 MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Binding affinity nNOS				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti"G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of bovine recombinant eNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analys...				ACS Med Chem Lett 6: 635-40 (2015) Article DOI: 10.1021/acsmedchemlett.5b00149 BindingDB Entry DOI: 10.7270/Q2C53NKC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)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 MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Universita G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...				J Med Chem 52: 1481-5 (2010) Article DOI: 10.1021/jm800846u BindingDB Entry DOI: 10.7270/Q2445MH9
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universita G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline preincubated 1 hr b...				J Med Chem 52: 1481-5 (2010) Article DOI: 10.1021/jm800846u BindingDB Entry DOI: 10.7270/Q2445MH9
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Università G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of bovine eNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin				Bioorg Med Chem Lett 20: 6495-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.059 BindingDB Entry DOI: 10.7270/Q2GX4BTP
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human eNOS using L-argininge as substrate preincubated for 15 mins followed by NADPH addition and measured after 20 mins by OPA/NAC rea...				ACS Med Chem Lett 11: 1470-1475 (2020)
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Università G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of mouse macrophage iNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin				Bioorg Med Chem Lett 20: 6495-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.059 BindingDB Entry DOI: 10.7270/Q2GX4BTP
					More data for this Ligand-Target Pair
Nitric-oxide synthase, endothelial (Bos taurus (bovine))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant rat nNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in pr...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)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 MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...				ACS Med Chem Lett 11: 1470-1475 (2020)
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)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 MMDB PC cid PC sid UniChem Patents Similars	MMDB PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition ...				ACS Med Chem Lett 11: 1470-1475 (2020)
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti"G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...				ACS Med Chem Lett 6: 635-40 (2015) Article DOI: 10.1021/acsmedchemlett.5b00149 BindingDB Entry DOI: 10.7270/Q2C53NKC
					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università G. d'Annunzio Curated by ChEMBL					Assay Description Inhibition of rat brain nNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin				Bioorg Med Chem Lett 20: 6495-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.059 BindingDB Entry DOI: 10.7270/Q2GX4BTP
					More data for this Ligand-Target Pair