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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 6457   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nitric oxide synthase, endothelial [1-973,L111A]


(Bos taurus (bovine))
BDBM130384
PNG
(6({[(2R,4S)4{[(6amino4methylpyridin2 yl)oxy]methyl...)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](COc3cc(C)cc(N)n3)CN2)c1 |r|
Show InChI InChI=1S/C19H27N5O2/c1-12-3-16(23-17(20)4-12)11-25-10-15-7-14(8-22-15)9-26-19-6-13(2)5-18(21)24-19/h3-6,14-15,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,15+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.18E+3n/an/an/a7.525



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
Nitric oxide synthase, endothelial [1-973,L111A]


(Bos taurus (bovine))
BDBM130383
PNG
(4methyl6{[(3R,4R)4{[5(4methylpyridin2 yl)pentyl]ox...)
Show SMILES Cc1ccnc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1 |r|
Show InChI InChI=1S/C22H32N4O/c1-16-7-8-25-19(10-16)6-4-3-5-9-27-21-15-24-14-18(21)13-20-11-17(2)12-22(23)26-20/h7-8,10-12,18,21,24H,3-6,9,13-15H2,1-2H3,(H2,23,26)/t18-,21+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 7.27E+3n/an/an/a7.525



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
3D Structure (crystal)