BindingDB PrimarySearch

BDBM50093344 CHEMBL3586662::US9951014, Name 19a

SMILES: CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F

InChI Key: InChIKey=HEAUHZMVJKXAQR-UHFFFAOYSA-N

Data: 8 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50093344
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50093344 (CHEMBL3586662 \| US9951014, Name 19a) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	67	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 recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay				J Med Chem 58: 5548-60 (2015) BindingDB Entry DOI: 10.7270/Q2319XN0
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50093344 (CHEMBL3586662 \| US9951014, Name 19a) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB US Patent	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex					Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5� microplate reader. IC50 values for each com...				J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1
Astex					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50093344 (CHEMBL3586662 \| US9951014, Name 19a) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB US Patent	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex					Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5� microplate reader. IC50 values for each com...				J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1
Astex					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50093344 (CHEMBL3586662 \| US9951014, Name 19a) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	189	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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay				J Med Chem 58: 5548-60 (2015) BindingDB Entry DOI: 10.7270/Q2319XN0
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50093344 (CHEMBL3586662 \| US9951014, Name 19a) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	US Patent	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex					Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5� microplate reader. IC50 values for each com...				J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1
Astex					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50093344 (CHEMBL3586662 \| US9951014, Name 19a) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	8.13E+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 mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay				J Med Chem 58: 5548-60 (2015) BindingDB Entry DOI: 10.7270/Q2319XN0
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50093344 (CHEMBL3586662 \| US9951014, Name 19a) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	1.59E+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 bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay				J Med Chem 58: 5548-60 (2015) BindingDB Entry DOI: 10.7270/Q2319XN0
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50093344 (CHEMBL3586662 \| US9951014, Name 19a) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	US Patent	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex					Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5� microplate reader. IC50 values for each com...				J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1
Astex					More data for this Ligand-Target Pair