BDBM50167729 (S)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido)-pentanoic acid tert-butyl ester::CHEMBL193967

SMILES: CSC(=N)NCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C

InChI Key: InChIKey=IAGGWXWPUDULOO-IUCAKERBSA-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 = 50167729   

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))	BDBM50167729 ((S)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido...) Show SMILES CSC(=N)NCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C Show InChI InChI=1S/C12H25N3O2S/c1-8(6-7-15-11(14)18-5)9(13)10(16)17-12(2,3)4/h8-9H,6-7,13H2,1-5H3,(H2,14,15)/t8-,9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+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 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, inducible (Homo sapiens (Human))	BDBM50167729 ((S)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido...) Show SMILES CSC(=N)NCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C Show InChI InChI=1S/C12H25N3O2S/c1-8(6-7-15-11(14)18-5)9(13)10(16)17-12(2,3)4/h8-9H,6-7,13H2,1-5H3,(H2,14,15)/t8-,9-/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	4.50E+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
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50167729 ((S)-2-(S)-Amino-3-methyl-5-(2-methyl-isothioureido...) Show SMILES CSC(=N)NCC[C@H](C)[C@H](N)C(=O)OC(C)(C)C Show InChI InChI=1S/C12H25N3O2S/c1-8(6-7-15-11(14)18-5)9(13)10(16)17-12(2,3)4/h8-9H,6-7,13H2,1-5H3,(H2,14,15)/t8-,9-/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	3.50E+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 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