BDBM50049254 (2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic acid::CHEMBL99636::N(5)-carbamimidoyl-N(5)-methyl-L-ornithine::N(5)-methyl-L-arginine::delta-N-methylarginine

SMILES: CN(CCC[C@H](N)C(O)=O)C(N)=N

InChI Key: InChIKey=XKCWNEVAXQCMGP-YFKPBYRVSA-N

Data: 1 KI  8 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 9 hits for monomerid = 50049254   

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, inducible (Homo sapiens (Human))	BDBM50049254 ((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...) Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity towards inducible nitric oxide synthase				Bioorg Med Chem Lett 15: 3934-41 (2005) Article DOI: 10.1016/j.bmcl.2005.05.088 BindingDB Entry DOI: 10.7270/Q2V69KBC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50049254 ((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...) Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human inducible nitric oxide synthase				J Med Chem 39: 669-72 (1996) Article DOI: 10.1021/jm950766n BindingDB Entry DOI: 10.7270/Q261110M
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50049254 ((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...) Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human Neuronal nitric oxide synthase				J Med Chem 39: 669-72 (1996) Article DOI: 10.1021/jm950766n BindingDB Entry DOI: 10.7270/Q261110M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50049254 ((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...) Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human Endothelial nitric oxide synthase				J Med Chem 39: 669-72 (1996) Article DOI: 10.1021/jm950766n BindingDB Entry DOI: 10.7270/Q261110M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50049254 ((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...) Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS by griess assay				Bioorg Med Chem 16: 2305-12 (2008) Article DOI: 10.1016/j.bmc.2007.11.066 BindingDB Entry DOI: 10.7270/Q2KW5GXN
					More data for this Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH) (Homo sapiens (Human))	BDBM50049254 ((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...) Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of human recombinant DDAH1 expressed in Escherichia coli BL21 cells				Bioorg Med Chem 16: 2305-12 (2008) Article DOI: 10.1016/j.bmc.2007.11.066 BindingDB Entry DOI: 10.7270/Q2KW5GXN
					More data for this Ligand-Target Pair				3D Structure (docked)
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50049254 ((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...) Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of human recombinant eNOS by griess assay				Bioorg Med Chem 16: 2305-12 (2008) Article DOI: 10.1016/j.bmc.2007.11.066 BindingDB Entry DOI: 10.7270/Q2KW5GXN
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50049254 ((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...) Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of human recombinant nNOS by griess assay				Bioorg Med Chem 16: 2305-12 (2008) Article DOI: 10.1016/j.bmc.2007.11.066 BindingDB Entry DOI: 10.7270/Q2KW5GXN
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50049254 ((2S)-2-amino-5-(N-methylcarbamimidamido)pentanoic ...) Show SMILES CN(CCC[C@H](N)C(O)=O)C(N)=N Show InChI InChI=1S/C7H16N4O2/c1-11(7(9)10)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Haute-Alsace Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against iNOS obtained from RAW 264.7 cells.				Bioorg Med Chem Lett 8: 2961-6 (1999) Article DOI: 10.1016/S0960-894X(98)00532-0 BindingDB Entry DOI: 10.7270/Q2DZ07G5
					More data for this Ligand-Target Pair