BDBM50167730 (S)-2-(S)-Amino-3-[2-(2-methyl-isothioureido)-ethyl]-hexanoic acid tert-butyl ester::CHEMBL197055

SMILES: CCC[C@@H](CCNC(=N)SC)[C@H](N)C(=O)OC(C)(C)C

InChI Key: InChIKey=KYTKSHZWLXQFCU-QWRGUYRKSA-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 = 50167730   

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, brain (Homo sapiens (Human))	BDBM50167730 ((S)-2-(S)-Amino-3-[2-(2-methyl-isothioureido)-ethy...) Show SMILES CCC[C@@H](CCNC(=N)SC)[C@H](N)C(=O)OC(C)(C)C Show InChI InChI=1S/C14H29N3O2S/c1-6-7-10(8-9-17-13(16)20-5)11(15)12(18)19-14(2,3)4/h10-11H,6-9,15H2,1-5H3,(H2,16,17)/t10-,11-/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	5.00E+5	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, endothelial (Homo sapiens (Human))	BDBM50167730 ((S)-2-(S)-Amino-3-[2-(2-methyl-isothioureido)-ethy...) Show SMILES CCC[C@@H](CCNC(=N)SC)[C@H](N)C(=O)OC(C)(C)C Show InChI InChI=1S/C14H29N3O2S/c1-6-7-10(8-9-17-13(16)20-5)11(15)12(18)19-14(2,3)4/h10-11H,6-9,15H2,1-5H3,(H2,16,17)/t10-,11-/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, inducible (Homo sapiens (Human))	BDBM50167730 ((S)-2-(S)-Amino-3-[2-(2-methyl-isothioureido)-ethy...) Show SMILES CCC[C@@H](CCNC(=N)SC)[C@H](N)C(=O)OC(C)(C)C Show InChI InChI=1S/C14H29N3O2S/c1-6-7-10(8-9-17-13(16)20-5)11(15)12(18)19-14(2,3)4/h10-11H,6-9,15H2,1-5H3,(H2,16,17)/t10-,11-/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	3.70E+5	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