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PubMed code 22336385

Compile data set for download or QSAR
Found 4 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, inducible


(Homo sapiens (human))
BDBM50365106
PNG
(CHEMBL1951503)
Show SMILES COc1ccc(N)c(c1)C1=NN(C(=O)C2CCCCC2)C(C)(C)S1
Show InChI InChI=1S/C18H25N3O2S/c1-18(2)21(17(22)12-7-5-4-6-8-12)20-16(24-18)14-11-13(23-3)9-10-15(14)19/h9-12H,4-8,19H2,1-3H3
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PC sid
UniChem

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Article
PubMed
n/an/a 2.19E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of iNOS assessed as conversion of L-[3H]arginine to L-[3H]-citrulline after 30 mins by scintillation counting


Eur J Med Chem 50: 129-39 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.047
BindingDB Entry DOI: 10.7270/Q2V40VP2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50365104
PNG
(CHEMBL1951498)
Show SMILES CCCC(=O)N1N=C(SC1(C)C)c1cc(OC)ccc1N
Show InChI InChI=1S/C15H21N3O2S/c1-5-6-13(19)18-15(2,3)21-14(17-18)11-9-10(20-4)7-8-12(11)16/h7-9H,5-6,16H2,1-4H3
PDB
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Article
PubMed
n/an/a 2.96E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of iNOS assessed as conversion of L-[3H]arginine to L-[3H]-citrulline after 30 mins by scintillation counting


Eur J Med Chem 50: 129-39 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.047
BindingDB Entry DOI: 10.7270/Q2V40VP2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50365107
PNG
(CHEMBL1951517)
Show SMILES CC1(C)SC(=NN1C(=O)C1CC1)c1ccccc1N
Show InChI InChI=1S/C14H17N3OS/c1-14(2)17(13(18)9-7-8-9)16-12(19-14)10-5-3-4-6-11(10)15/h3-6,9H,7-8,15H2,1-2H3
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Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of iNOS assessed as conversion of L-[3H]arginine to L-[3H]-citrulline after 30 mins by scintillation counting


Eur J Med Chem 50: 129-39 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.047
BindingDB Entry DOI: 10.7270/Q2V40VP2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50365105
PNG
(CHEMBL1951500)
Show SMILES COc1ccc(N)c(c1)C1=NN(C(=O)C2CC2)C(C)(C)S1
Show InChI InChI=1S/C15H19N3O2S/c1-15(2)18(14(19)9-4-5-9)17-13(21-15)11-8-10(20-3)6-7-12(11)16/h6-9H,4-5,16H2,1-3H3
PDB
MMDB

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UniChem

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Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of iNOS assessed as conversion of L-[3H]arginine to L-[3H]-citrulline after 30 mins by scintillation counting


Eur J Med Chem 50: 129-39 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.047
BindingDB Entry DOI: 10.7270/Q2V40VP2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%