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
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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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 |