BindingDB PrimarySearch

BDBM21961 (2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)pentanamido]pyrrolidine-2-carboxamide::CHEMBL228077::JMC522060 Compound 3::N omega-Nitro-L-Arginine-Containing Dipeptide, 2

SMILES: N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O

InChI Key: InChIKey=IUFRDGFKAVLPFZ-CSMHCCOUSA-N

Data: 14 KI

PDB links: 6 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 21961
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, brain (Homo sapiens (Human))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica Curated by ChEMBL					Assay Description Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline				Bioorg Med Chem 16: 6193-206 (2008) Article DOI: 10.1016/j.bmc.2008.04.036 BindingDB Entry DOI: 10.7270/Q2611040
Instituto de Química Médica Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	100	-9.70	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				J Med Chem 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	100	-9.70	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Struct Mol Biol 11: 54-9 (2004) Article DOI: 10.1038/nsmb704 BindingDB Entry DOI: 10.7270/Q27942ZS
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 56: 3121-47 (2013) Article DOI: 10.1021/jm3015926 BindingDB Entry DOI: 10.7270/Q23T9JKG
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	330	-8.98	n/a	n/a	n/a	n/a	n/a	7.5	30
Northwestern University					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				J Med Chem 50: 2089-99 (2007) Article DOI: 10.1021/jm061305c BindingDB Entry DOI: 10.7270/Q2W0947W
Northwestern University					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay				Bioorg Med Chem 15: 1928-38 (2007) Article DOI: 10.1016/j.bmc.2007.01.001 BindingDB Entry DOI: 10.7270/Q2QF8SJB
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial Mutant (N368D) (Bos taurus (bovine))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.10E+3	-7.34	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Struct Mol Biol 11: 54-9 (2004) Article DOI: 10.1038/nsmb704 BindingDB Entry DOI: 10.7270/Q27942ZS
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.70E+4	-6.61	n/a	n/a	n/a	n/a	n/a	7.5	30
Northwestern University					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				J Med Chem 50: 2089-99 (2007) Article DOI: 10.1021/jm061305c BindingDB Entry DOI: 10.7270/Q2W0947W
Northwestern University					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay				Bioorg Med Chem 15: 1928-38 (2007) Article DOI: 10.1016/j.bmc.2007.01.001 BindingDB Entry DOI: 10.7270/Q2QF8SJB
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric Oxide Synthase, brain Mutant (D597N) (Rattus norvegicus (rat))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.10E+4	-6.48	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Struct Mol Biol 11: 54-9 (2004) Article DOI: 10.1038/nsmb704 BindingDB Entry DOI: 10.7270/Q27942ZS
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of bovine recombinant eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay				Bioorg Med Chem 15: 1928-38 (2007) Article DOI: 10.1016/j.bmc.2007.01.001 BindingDB Entry DOI: 10.7270/Q2QF8SJB
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	7.20E+4	-5.74	n/a	n/a	n/a	n/a	n/a	7.5	30
Northwestern University					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				J Med Chem 50: 2089-99 (2007) Article DOI: 10.1021/jm061305c BindingDB Entry DOI: 10.7270/Q2W0947W
Northwestern University					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.10E+5	-5.49	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Struct Mol Biol 11: 54-9 (2004) Article DOI: 10.1038/nsmb704 BindingDB Entry DOI: 10.7270/Q27942ZS
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.10E+5	-5.49	n/a	n/a	n/a	n/a	n/a	7.5	30
University of California at Irvine					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				J Med Chem 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)