BDBM50316606 (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid::2-aminohomohistidine::CHEMBL1099168

SMILES: N[C@@H](CCc1cnc(N)[nH]1)C(O)=O

InChI Key: InChIKey=FXIIKDXCDODGRI-YFKPBYRVSA-N

Data: 1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50316606   

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
Arginase-1 (Homo sapiens (Human))	BDBM50316606 ((2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic ...) Show SMILES N[C@@H](CCc1cnc(N)[nH]1)C(O)=O |r| Show InChI InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay				J Med Chem 53: 4266-76 (2010) Article DOI: 10.1021/jm100306a BindingDB Entry DOI: 10.7270/Q2SQ90JK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50316606 ((2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic ...) Show SMILES N[C@@H](CCc1cnc(N)[nH]1)C(O)=O |r| Show InChI InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS				J Med Chem 53: 4266-76 (2010) Article DOI: 10.1021/jm100306a BindingDB Entry DOI: 10.7270/Q2SQ90JK
					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50316606 ((2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic ...) Show SMILES N[C@@H](CCc1cnc(N)[nH]1)C(O)=O |r| Show InChI InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition rat recombinant nNOS				J Med Chem 53: 4266-76 (2010) Article DOI: 10.1021/jm100306a BindingDB Entry DOI: 10.7270/Q2SQ90JK
					More data for this Ligand-Target Pair