Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N]   (420/422 > 99%)† (Rattus norvegicus (rats))	BDBM130382 (4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrro...) Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2ccccn2)c1 |r| Show InChI InChI=1S/C21H30N4O/c1-16-11-19(25-21(22)12-16)13-17-14-23-15-20(17)26-10-6-2-3-7-18-8-4-5-9-24-18/h4-5,8-9,11-12,17,20,23H,2-3,6-7,10,13-15H2,1H3,(H2,22,25)/t17-,20+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.93E+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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain   (422/422 = 100%)† (Rattus norvegicus (rat))	BDBM130382 (4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrro...) Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2ccccn2)c1 |r| Show InChI InChI=1S/C21H30N4O/c1-16-11-19(25-21(22)12-16)13-17-14-23-15-20(17)26-10-6-2-3-7-18-8-4-5-9-24-18/h4-5,8-9,11-12,17,20,23H,2-3,6-7,10,13-15H2,1H3,(H2,22,25)/t17-,20+/m1/s1	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	212	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
					More data for this Ligand-Target Pair				3D Structure (crystal)

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