BDBM130382 4methyl6{[(3R,4R)4{[5(pyridin2 yl)pentyl]oxy}pyrrolidin3yl]methyl}pyridin2amine ((3R,4R)-2)

SMILES: Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCCCCc2ccccn2)c1

InChI Key: InChIKey=CSFKTRORRCGDRY-XLIONFOSSA-N

Data: 3 Kd

PDB links: 4 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 3 hits for monomerid = 130382   

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 (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)
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	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	4.13E+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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase mutant (nNOS M336V/D597N) (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 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)