BindingDB PrimarySearch

BDBM130383 4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]oxy}pyrrolidin3yl]methyl}pyridin2amine ((3R,4R)-3)

SMILES: Cc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1

InChI Key: InChIKey=ZWYPXJQSZOXLSP-NQIIRXRSSA-N

Data: 4 Kd

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 130383
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))	BDBM130383 (4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	198	n/a	n/a	n/a	7.5	25
University of California at Irvine					Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...				Biochemistry 53: 5272-9 (2014) Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase mutant (eNOS L111A) (Bos taurus (bovine))	BDBM130383 (4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	7.27E+3	n/a	n/a	n/a	7.5	25
University of California at Irvine					Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...				Biochemistry 53: 5272-9 (2014) Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM130383 (4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	5.58E+4	n/a	n/a	n/a	7.5	25
University of California at Irvine					Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...				Biochemistry 53: 5272-9 (2014) Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase mutant (nNOS M336V/D597N) (Rattus norvegicus (rats))	BDBM130383 (4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	393	n/a	n/a	n/a	7.5	25
University of California at Irvine					Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut...				Biochemistry 53: 5272-9 (2014) Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573
University of California at Irvine					More data for this Ligand-Target Pair				3D Structure (crystal)