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PubMed code 17368901

Compile data set for download or QSAR
Found 6 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))
BDBM50208484
PNG
((3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDA...)
Show SMILES C(N1CCC[C@@H](C1)Oc1ccc(cc1)-n1ccnc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H23N3O3/c1-2-20(28-19-6-4-18(5-7-19)25-11-9-23-15-25)14-24(10-1)13-17-3-8-21-22(12-17)27-16-26-21/h3-9,11-12,15,20H,1-2,10,13-14,16H2/t20-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-induced iNOS expressed in SF9 cells


Bioorg Med Chem Lett 17: 2499-504 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.053
BindingDB Entry DOI: 10.7270/Q2K35T9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50208478
PNG
(CHEMBL233031 | N-(4-(1H-imidazol-1-yl)phenyl)-1-(b...)
Show SMILES C(N1CCCC(C1)Nc1ccc(cc1)-n1ccnc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H24N4O2/c1-2-19(24-18-4-6-20(7-5-18)26-11-9-23-15-26)14-25(10-1)13-17-3-8-21-22(12-17)28-16-27-21/h3-9,11-12,15,19,24H,1-2,10,13-14,16H2
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n/an/a 120n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-induced iNOS expressed in SF9 cells


Bioorg Med Chem Lett 17: 2499-504 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.053
BindingDB Entry DOI: 10.7270/Q2K35T9S
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50208476
PNG
(3-(4-(1H-imidazol-1-yl)phenoxy)-1-(benzo[d][1,3]di...)
Show SMILES C(N1CCCC(C1)Oc1ccc(cc1)-n1ccnc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H23N3O3/c1-2-20(28-19-6-4-18(5-7-19)25-11-9-23-15-25)14-24(10-1)13-17-3-8-21-22(12-17)27-16-26-21/h3-9,11-12,15,20H,1-2,10,13-14,16H2
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n/an/a 250n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-induced iNOS expressed in SF9 cells


Bioorg Med Chem Lett 17: 2499-504 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.053
BindingDB Entry DOI: 10.7270/Q2K35T9S
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50208482
PNG
(3-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-3-y...)
Show SMILES C(N1CCCC(C1)Oc1ccc(nn1)-n1ccnc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H21N5O3/c1-2-16(28-20-6-5-19(22-23-20)25-9-7-21-13-25)12-24(8-1)11-15-3-4-17-18(10-15)27-14-26-17/h3-7,9-10,13,16H,1-2,8,11-12,14H2
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n/an/a 590n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-induced iNOS expressed in SF9 cells


Bioorg Med Chem Lett 17: 2499-504 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.053
BindingDB Entry DOI: 10.7270/Q2K35T9S
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50208475
PNG
((R)-1-(4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrro...)
Show SMILES C(Oc1ccc(cc1)-n1ccnc1)[C@H]1CCCN1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C22H23N3O3/c1-2-19(14-26-20-6-4-18(5-7-20)25-11-9-23-15-25)24(10-1)13-17-3-8-21-22(12-17)28-16-27-21/h3-9,11-12,15,19H,1-2,10,13-14,16H2/t19-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-induced iNOS expressed in SF9 cells


Bioorg Med Chem Lett 17: 2499-504 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.053
BindingDB Entry DOI: 10.7270/Q2K35T9S
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (human))
BDBM50208480
PNG
(2-((4-(1H-imidazol-1-yl)phenoxy)methyl)-1-(benzo[d...)
Show SMILES C(Oc1ccc(cc1)-n1ccnc1)C1CCCCN1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C23H25N3O3/c1-2-11-25(14-18-4-9-22-23(13-18)29-17-28-22)20(3-1)15-27-21-7-5-19(6-8-21)26-12-10-24-16-26/h4-10,12-13,16,20H,1-3,11,14-15,17H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-induced iNOS expressed in SF9 cells


Bioorg Med Chem Lett 17: 2499-504 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.053
BindingDB Entry DOI: 10.7270/Q2K35T9S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%