BindingDB PrimarySearch

BDBM50341678 6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1diyl))-bis(4-methylpyridin-2-amine)::6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)::CHEMBL1615292::NOS Inhibitor, 3n

SMILES: Cc1cc(N)nc(CCc2cc(N)cc(CCc3cc(C)cc(N)n3)c2)c1

InChI Key: InChIKey=WZQDEYWNUPXXDO-UHFFFAOYSA-N

Data: 9 KI

PDB links: 9 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50341678
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))	BDBM50341678 (6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 58: 994-1004 (2015) Article DOI: 10.1021/jm501723p BindingDB Entry DOI: 10.7270/Q2833TP5
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50341678 (6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	85	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 UV-vis spectrometric analysis				J Med Chem 54: 2039-48 (2011) Article DOI: 10.1021/jm101071n BindingDB Entry DOI: 10.7270/Q2571CB0
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50341678 (6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Irvine					Assay Description Inhibition assay using nitric oxide synthases.				Biochemistry 49: 10803-10 (2010) Article DOI: 10.1021/bi1013479 BindingDB Entry DOI: 10.7270/Q2KS6Q51
University of California, Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50341678 (6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse iNOS				J Med Chem 58: 994-1004 (2015) Article DOI: 10.1021/jm501723p BindingDB Entry DOI: 10.7270/Q2833TP5
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50341678 (6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Irvine					Assay Description Inhibition assay using nitric oxide synthases.				Biochemistry 49: 10803-10 (2010) Article DOI: 10.1021/bi1013479 BindingDB Entry DOI: 10.7270/Q2KS6Q51
University of California, Irvine					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50341678 (6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+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 macrophage recombinant iNOS expressed in Escherichia coli by UV-vis spectrometric analysis				J Med Chem 54: 2039-48 (2011) Article DOI: 10.1021/jm101071n BindingDB Entry DOI: 10.7270/Q2571CB0
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50341678 (6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of bovine eNOS				J Med Chem 58: 994-1004 (2015) Article DOI: 10.1021/jm501723p BindingDB Entry DOI: 10.7270/Q2833TP5
University of California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50341678 (6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4.95E+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 bovine recombinant eNOS expressed in Escherichia coli by UV-vis spectrometric analysis				J Med Chem 54: 2039-48 (2011) Article DOI: 10.1021/jm101071n BindingDB Entry DOI: 10.7270/Q2571CB0
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50341678 (6,6'-(2,2'-(5-Amino-1,3-phenylene)bis(ethane-2,1di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Irvine					Assay Description Inhibition assay using nitric oxide synthases.				Biochemistry 49: 10803-10 (2010) Article DOI: 10.1021/bi1013479 BindingDB Entry DOI: 10.7270/Q2KS6Q51
University of California, Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)