BDBM50196044 4-N-(L-ArgNO2)-Nalpha-methyl-trans-4-amino-L-proline-NH2 ditrifluoroacetic acid::CHEMBL216770

SMILES: CN1C[C@@H](C[C@H]1C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O

InChI Key: InChIKey=ZJHWTMVKXAJEHT-VGMNWLOBSA-N

Data: 3 KI  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 6 hits for monomerid = 50196044   

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 (Rattus norvegicus (rat))	BDBM50196044 (4-N-(L-ArgNO2)-Nalpha-methyl-trans-4-amino-L-proli...) Show SMILES CN1C[C@@H](C[C@H]1C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |w:20.21| Show InChI InChI=1S/C12H24N8O4/c1-19-6-7(5-9(19)10(14)21)17-11(22)8(13)3-2-4-16-12(15)18-20(23)24/h7-9H,2-6,13H2,1H3,(H2,14,21)(H,17,22)(H3,15,16,18)/t7-,8+,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 49: 6254-63 (2006) Article DOI: 10.1021/jm0604124 BindingDB Entry DOI: 10.7270/Q2W37VZ8
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50196044 (4-N-(L-ArgNO2)-Nalpha-methyl-trans-4-amino-L-proli...) Show SMILES CN1C[C@@H](C[C@H]1C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |w:20.21| Show InChI InChI=1S/C12H24N8O4/c1-19-6-7(5-9(19)10(14)21)17-11(22)8(13)3-2-4-16-12(15)18-20(23)24/h7-9H,2-6,13H2,1H3,(H2,14,21)(H,17,22)(H3,15,16,18)/t7-,8+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of murine macrophage iNOS				J Med Chem 49: 6254-63 (2006) Article DOI: 10.1021/jm0604124 BindingDB Entry DOI: 10.7270/Q2W37VZ8
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50196044 (4-N-(L-ArgNO2)-Nalpha-methyl-trans-4-amino-L-proli...) Show SMILES CN1C[C@@H](C[C@H]1C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |w:20.21| Show InChI InChI=1S/C12H24N8O4/c1-19-6-7(5-9(19)10(14)21)17-11(22)8(13)3-2-4-16-12(15)18-20(23)24/h7-9H,2-6,13H2,1H3,(H2,14,21)(H,17,22)(H3,15,16,18)/t7-,8+,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.46E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of bovine eNOS				J Med Chem 49: 6254-63 (2006) Article DOI: 10.1021/jm0604124 BindingDB Entry DOI: 10.7270/Q2W37VZ8
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50196044 (4-N-(L-ArgNO2)-Nalpha-methyl-trans-4-amino-L-proli...) Show SMILES CN1C[C@@H](C[C@H]1C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |w:20.21| Show InChI InChI=1S/C12H24N8O4/c1-19-6-7(5-9(19)10(14)21)17-11(22)8(13)3-2-4-16-12(15)18-20(23)24/h7-9H,2-6,13H2,1H3,(H2,14,21)(H,17,22)(H3,15,16,18)/t7-,8+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of murine macrophage iNOS				J Med Chem 49: 6254-63 (2006) Article DOI: 10.1021/jm0604124 BindingDB Entry DOI: 10.7270/Q2W37VZ8
					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50196044 (4-N-(L-ArgNO2)-Nalpha-methyl-trans-4-amino-L-proli...) Show SMILES CN1C[C@@H](C[C@H]1C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |w:20.21| Show InChI InChI=1S/C12H24N8O4/c1-19-6-7(5-9(19)10(14)21)17-11(22)8(13)3-2-4-16-12(15)18-20(23)24/h7-9H,2-6,13H2,1H3,(H2,14,21)(H,17,22)(H3,15,16,18)/t7-,8+,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 49: 6254-63 (2006) Article DOI: 10.1021/jm0604124 BindingDB Entry DOI: 10.7270/Q2W37VZ8
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50196044 (4-N-(L-ArgNO2)-Nalpha-methyl-trans-4-amino-L-proli...) Show SMILES CN1C[C@@H](C[C@H]1C(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |w:20.21| Show InChI InChI=1S/C12H24N8O4/c1-19-6-7(5-9(19)10(14)21)17-11(22)8(13)3-2-4-16-12(15)18-20(23)24/h7-9H,2-6,13H2,1H3,(H2,14,21)(H,17,22)(H3,15,16,18)/t7-,8+,9+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+6	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of bovine eNOS				J Med Chem 49: 6254-63 (2006) Article DOI: 10.1021/jm0604124 BindingDB Entry DOI: 10.7270/Q2W37VZ8
					More data for this Ligand-Target Pair