BindingDB PrimarySearch

BDBM50086467 (S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-butyric acid::CHEMBL114551

SMILES: CC(=N)NCCSCC[C@H](N)C(O)=O

InChI Key: InChIKey=MOLOJNHYNHBPCW-ZETCQYMHSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50086467
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description In vitro inhibition of human Inducible nitric oxide synthase.				J Med Chem 47: 3320-3 (2004) Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description In vitro inhibition of human neuronal nitric oxide synthase.				J Med Chem 47: 3320-3 (2004) Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description In vitro inhibition of human endothelial nitric oxide synthase.				J Med Chem 47: 3320-3 (2004) Article DOI: 10.1021/jm031035n BindingDB Entry DOI: 10.7270/Q25M656D
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS by microtiter plate assay				Bioorg Med Chem Lett 21: 3037-40 (2011) Article DOI: 10.1016/j.bmcl.2011.03.038 BindingDB Entry DOI: 10.7270/Q2FB538T
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant eNOS by microtiter plate assay				Bioorg Med Chem Lett 21: 3037-40 (2011) Article DOI: 10.1016/j.bmcl.2011.03.038 BindingDB Entry DOI: 10.7270/Q2FB538T
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting				Bioorg Med Chem Lett 21: 4228-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.073 BindingDB Entry DOI: 10.7270/Q2H996GJ
Nycomed GmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase				Bioorg Med Chem Lett 10: 597-600 (2000) BindingDB Entry DOI: 10.7270/Q21C1XDN
Glaxo Wellcome Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human inducible nitric oxide synthase				Bioorg Med Chem Lett 10: 597-600 (2000) BindingDB Entry DOI: 10.7270/Q21C1XDN
Glaxo Wellcome Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human neuronal Nitric Oxide Synthase				Bioorg Med Chem Lett 10: 597-600 (2000) BindingDB Entry DOI: 10.7270/Q21C1XDN
Glaxo Wellcome Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting				Bioorg Med Chem Lett 21: 4228-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.073 BindingDB Entry DOI: 10.7270/Q2H996GJ
Nycomed GmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting				Bioorg Med Chem Lett 21: 4228-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.073 BindingDB Entry DOI: 10.7270/Q2H996GJ
Nycomed GmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50086467 ((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...) Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant nNOS by microtiter plate assay				Bioorg Med Chem Lett 21: 3037-40 (2011) Article DOI: 10.1016/j.bmcl.2011.03.038 BindingDB Entry DOI: 10.7270/Q2FB538T
GlaxoSmithKline R&D Curated by ChEMBL					More data for this Ligand-Target Pair