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PubMed code 24648521

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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


(Bos taurus (bovine))
BDBM228656
PNG
(CAV (90-99) F92A | TTATVTKYWF)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C59H84N12O16/c1-29(2)46(68-58(85)49(34(7)75)69-50(77)30(3)63-56(83)47(32(5)73)70-54(81)45(61)31(4)72)55(82)71-48(33(6)74)57(84)64-41(19-13-14-24-60)51(78)65-42(25-36-20-22-38(76)23-21-36)52(79)66-43(27-37-28-62-40-18-12-11-17-39(37)40)53(80)67-44(59(86)87)26-35-15-9-8-10-16-35/h8-12,15-18,20-23,28-34,41-49,62,72-76H,13-14,19,24-27,60-61H2,1-7H3,(H,63,83)(H,64,84)(H,65,78)(H,66,79)(H,67,80)(H,68,85)(H,69,77)(H,70,81)(H,71,82)(H,86,87)/t30-,31+,32+,33+,34+,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 23n/an/an/a7.525



St. Paul's Hospital's Centre of Heart and Lung Innovation



Assay Description
eNOS was diluted to varying concentrations in buffer containing 50 mM inorganic phosphate, 50 mM KCl, and 5 mM DTT, pH 7.5. A spectrophotometer was u...


J Biol Chem 289: 13273-83 (2014)


Article DOI: 10.1074/jbc.M113.528695
BindingDB Entry DOI: 10.7270/Q2DJ5DJW
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM228655
PNG
(CAV (90-99) | TTFTVTKYWF)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C65H88N12O16/c1-34(2)52(74-64(91)55(38(6)81)75-59(86)48(29-39-17-9-7-10-18-39)72-63(90)53(36(4)79)76-60(87)51(67)35(3)78)61(88)77-54(37(5)80)62(89)69-46(23-15-16-28-66)56(83)70-47(30-41-24-26-43(82)27-25-41)57(84)71-49(32-42-33-68-45-22-14-13-21-44(42)45)58(85)73-50(65(92)93)31-40-19-11-8-12-20-40/h7-14,17-22,24-27,33-38,46-55,68,78-82H,15-16,23,28-32,66-67H2,1-6H3,(H,69,89)(H,70,83)(H,71,84)(H,72,90)(H,73,85)(H,74,91)(H,75,86)(H,76,87)(H,77,88)(H,92,93)/t35-,36-,37-,38-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 42n/an/an/a7.525



St. Paul's Hospital's Centre of Heart and Lung Innovation



Assay Description
eNOS was diluted to varying concentrations in buffer containing 50 mM inorganic phosphate, 50 mM KCl, and 5 mM DTT, pH 7.5. A spectrophotometer was u...


J Biol Chem 289: 13273-83 (2014)


Article DOI: 10.1074/jbc.M113.528695
BindingDB Entry DOI: 10.7270/Q2DJ5DJW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%