BDBM50167728 2-[(S)-2-Amino-5-(2-methyl-isothioureido)-pentanoylamino]-3-(S)-phenyl-propionic acid::CHEMBL196720

SMILES: CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=CKTQQHSTESGUST-STQMWFEESA-N

Data: 3 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 3 hits for monomerid = 50167728   

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, endothelial (Homo sapiens (Human))	BDBM50167728 (2-[(S)-2-Amino-5-(2-methyl-isothioureido)-pentanoy...) Show SMILES CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N4O3S/c1-24-16(18)19-9-5-8-12(17)14(21)20-13(15(22)23)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H2,18,19)(H,20,21)(H,22,23)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells				Bioorg Med Chem Lett 15: 2881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.078 BindingDB Entry DOI: 10.7270/Q2PK0FP1
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50167728 (2-[(S)-2-Amino-5-(2-methyl-isothioureido)-pentanoy...) Show SMILES CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N4O3S/c1-24-16(18)19-9-5-8-12(17)14(21)20-13(15(22)23)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H2,18,19)(H,20,21)(H,22,23)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells				Bioorg Med Chem Lett 15: 2881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.078 BindingDB Entry DOI: 10.7270/Q2PK0FP1
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50167728 (2-[(S)-2-Amino-5-(2-methyl-isothioureido)-pentanoy...) Show SMILES CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H24N4O3S/c1-24-16(18)19-9-5-8-12(17)14(21)20-13(15(22)23)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H2,18,19)(H,20,21)(H,22,23)/t12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibitory concentration against human inducible nitric oxide synthase expressed in Sf-9 cells				Bioorg Med Chem Lett 15: 2881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.078 BindingDB Entry DOI: 10.7270/Q2PK0FP1
					More data for this Ligand-Target Pair