BDBM50209245 CHEMBL247378

SMILES: [O-][N+](=O)c1cccc2cn[nH]c12

InChI Key: InChIKey=PQCAUHUKTBHUSA-UHFFFAOYSA-N

Data: 21 IC50

PDB links: 3 PDB IDs match this monomer.

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 21 hits for monomerid = 50209245   

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))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Inhibitory activity against human neuronal nitric oxide synthase (nNOS)				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Rattus norvegicus)	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Inhibitory activity against rat neuronal nitric oxide synthase (nNOS)				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Université de Caen Curated by ChEMBL					Assay Description In vitro inhibitory concentration against rat cerebellar neuronal nitric oxide synthase				Bioorg Med Chem Lett 11: 1153-6 (2001) BindingDB Entry DOI: 10.7270/Q2KS6QS3
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human endothelial nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
UPRES-EA 3915 Curated by ChEMBL					Assay Description Inhibition of rat neuronal NOS				Bioorg Med Chem Lett 17: 3177-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.024 BindingDB Entry DOI: 10.7270/Q2Z60NR3
					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Versailles Curated by ChEMBL					Assay Description Inhibition of rat brain recombinant nNOS				Bioorg Med Chem 16: 5962-73 (2008) Article DOI: 10.1016/j.bmc.2008.04.056 BindingDB Entry DOI: 10.7270/Q2GB23VM
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Versailles Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS				Bioorg Med Chem 16: 5962-73 (2008) Article DOI: 10.1016/j.bmc.2008.04.056 BindingDB Entry DOI: 10.7270/Q2GB23VM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Versailles Curated by ChEMBL					Assay Description Inhibition of bovine recombinant eNOS				Bioorg Med Chem 16: 5962-73 (2008) Article DOI: 10.1016/j.bmc.2008.04.056 BindingDB Entry DOI: 10.7270/Q2GB23VM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested to inhibit the conversion of [3H]-L-arginine to [3H]-L-citrulline catalyzed by inducible NOS from mouse macrophage J774 cells				Bioorg Med Chem Lett 5: 1573-1576 (1995) Article DOI: 10.1016/0960-894X(95)00273-V BindingDB Entry DOI: 10.7270/Q25T3KD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested to inhibit the conversion of [3H]-L-arginine to [3H]-L-citrulline catalyzed by inducible NOS from human DLD-1 cells.				Bioorg Med Chem Lett 5: 1573-1576 (1995) Article DOI: 10.1016/0960-894X(95)00273-V BindingDB Entry DOI: 10.7270/Q25T3KD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested to inhibit the conversion of [3H]-L-arginine to [3H]-L-citrulline catalyzed by neuronal NOS from rat cerebellum.				Bioorg Med Chem Lett 5: 1573-1576 (1995) Article DOI: 10.1016/0960-894X(95)00273-V BindingDB Entry DOI: 10.7270/Q25T3KD0
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested to inhibit the conversion of [3H]-L-arginine to [3H]-L-citrulline catalyzed by endothelial NOS from human umbilical vein endothelial cells.				Bioorg Med Chem Lett 5: 1573-1576 (1995) Article DOI: 10.1016/0960-894X(95)00273-V BindingDB Entry DOI: 10.7270/Q25T3KD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
UNED Curated by ChEMBL					Assay Description Inhibition of NOS1				Bioorg Med Chem 17: 6180-7 (2009) Article DOI: 10.1016/j.bmc.2009.07.067 BindingDB Entry DOI: 10.7270/Q2ZG6SBD
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
UNED Curated by ChEMBL					Assay Description Inhibition of NOS2				Bioorg Med Chem 17: 6180-7 (2009) Article DOI: 10.1016/j.bmc.2009.07.067 BindingDB Entry DOI: 10.7270/Q2ZG6SBD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of nNOS in Sprague-Dawley rat brain homogenates assessed as conversion of oxyhemoglobin to methemoglobin measured for 10 mins by UV-visibl...				Bioorg Med Chem 19: 3935-44 (2011) Article DOI: 10.1016/j.bmc.2011.05.034 BindingDB Entry DOI: 10.7270/Q2H132CH
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of bovine recombinant eNOS expressed in Escherichia coli assessed as conversion of [gamma-14C]L-arginine to [14C]L-citrulline by radioacti...				Eur J Med Chem 44: 2877-87 (2009) Article DOI: 10.1016/j.ejmech.2008.12.007 BindingDB Entry DOI: 10.7270/Q2KD1ZV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as conversion of [gamma-14C]L-arginine to [14C]L-citrulline by radioactiv...				Eur J Med Chem 44: 2877-87 (2009) Article DOI: 10.1016/j.ejmech.2008.12.007 BindingDB Entry DOI: 10.7270/Q2KD1ZV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts-University of Kiel Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Saccharomyces cerevisiae assessed as conversion of [gamma-14C]L-arginine to [14C]L-citrulline by radi...				Eur J Med Chem 44: 2877-87 (2009) Article DOI: 10.1016/j.ejmech.2008.12.007 BindingDB Entry DOI: 10.7270/Q2KD1ZV6
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Inhibitory activity against human endothelial nitric oxide synthase (eNOS)				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair				3D Structure (crystal)