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5 similar compounds to monomer 50117554

Compile data set for download or QSAR
Wt: 238.6
BDBM50117562
Wt: 222.2
BDBM50117567
Wt: 256.6
BDBM50117553
Wt: 204.2
BDBM50117559
Wt: 222.2
BDBM50139525

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50117562,50117567,50117553,50117559,50139525   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50117553
PNG
(8-Chloro-6,7-difluoro-2,3,3a,9b-tetrahydro-1H-cycl...)
Show SMILES NC1=Nc2c(F)c(F)c(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H11ClF2N2/c13-8-4-7-5-2-1-3-6(5)12(16)17-11(7)10(15)9(8)14/h4-6H,1-3H2,(H2,16,17)/t5-,6+/m0/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of inducible nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50139525
PNG
((3aS,9bR)-3a,6-Difluoro-2,3,3a,9b-tetrahydro-1H-cy...)
Show SMILES NC1=Nc2c(F)cccc2[C@H]2CCC[C@@]12F
Show InChI InChI=1S/C12H12F2N2/c13-9-5-1-3-7-8-4-2-6-12(8,14)11(15)16-10(7)9/h1,3,5,8H,2,4,6H2,(H2,15,16)/t8-,12+/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50117562
PNG
((3aR,9bS)-8-Chloro-6-fluoro-2,3,3a,9b-tetrahydro-1...)
Show SMILES NC1=Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12ClFN2/c13-6-4-9-7-2-1-3-8(7)12(15)16-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H2,15,16)/t7-,8+/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of inducible nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50117567
PNG
((3aR,9bS)-6,7-Difluoro-2,3,3a,9b-tetrahydro-1H-cyc...)
Show SMILES NC1=Nc2c(F)c(F)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12F2N2/c13-9-5-4-7-6-2-1-3-8(6)12(15)16-11(7)10(9)14/h4-6,8H,1-3H2,(H2,15,16)/t6-,8-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelial nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50117562
PNG
((3aR,9bS)-8-Chloro-6-fluoro-2,3,3a,9b-tetrahydro-1...)
Show SMILES NC1=Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12ClFN2/c13-6-4-9-7-2-1-3-8(7)12(15)16-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H2,15,16)/t7-,8+/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Concentration required to inhibit neuronal nitric oxide synthase


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50117567
PNG
((3aR,9bS)-6,7-Difluoro-2,3,3a,9b-tetrahydro-1H-cyc...)
Show SMILES NC1=Nc2c(F)c(F)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12F2N2/c13-9-5-4-7-6-2-1-3-8(6)12(15)16-11(7)10(9)14/h4-6,8H,1-3H2,(H2,15,16)/t6-,8-/m1/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of inducible nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50117562
PNG
((3aR,9bS)-8-Chloro-6-fluoro-2,3,3a,9b-tetrahydro-1...)
Show SMILES NC1=Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12ClFN2/c13-6-4-9-7-2-1-3-8(7)12(15)16-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H2,15,16)/t7-,8+/m0/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelial nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50117553
PNG
(8-Chloro-6,7-difluoro-2,3,3a,9b-tetrahydro-1H-cycl...)
Show SMILES NC1=Nc2c(F)c(F)c(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H11ClF2N2/c13-8-4-7-5-2-1-3-6(5)12(16)17-11(7)10(15)9(8)14/h4-6H,1-3H2,(H2,16,17)/t5-,6+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelial nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50117559
PNG
(8-Fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quin...)
Show SMILES NC1=Nc2ccc(F)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H13FN2/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,8-9H,1-3H2,(H2,14,15)/t8-,9+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Concentration required to inhibit neuronal nitric oxide synthase


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50117567
PNG
((3aR,9bS)-6,7-Difluoro-2,3,3a,9b-tetrahydro-1H-cyc...)
Show SMILES NC1=Nc2c(F)c(F)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12F2N2/c13-9-5-4-7-6-2-1-3-8(6)12(15)16-11(7)10(9)14/h4-6,8H,1-3H2,(H2,15,16)/t6-,8-/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Concentration required to inhibit neuronal nitric oxide synthase


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50117559
PNG
(8-Fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quin...)
Show SMILES NC1=Nc2ccc(F)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H13FN2/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,8-9H,1-3H2,(H2,14,15)/t8-,9+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of inducible nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50117553
PNG
(8-Chloro-6,7-difluoro-2,3,3a,9b-tetrahydro-1H-cycl...)
Show SMILES NC1=Nc2c(F)c(F)c(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H11ClF2N2/c13-8-4-7-5-2-1-3-6(5)12(16)17-11(7)10(15)9(8)14/h4-6H,1-3H2,(H2,16,17)/t5-,6+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Concentration required to inhibit neuronal nitric oxide synthase


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50117567
PNG
((3aR,9bS)-6,7-Difluoro-2,3,3a,9b-tetrahydro-1H-cyc...)
Show SMILES NC1=Nc2c(F)c(F)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12F2N2/c13-9-5-4-7-6-2-1-3-8(6)12(15)16-11(7)10(9)14/h4-6,8H,1-3H2,(H2,15,16)/t6-,8-/m1/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50117567
PNG
((3aR,9bS)-6,7-Difluoro-2,3,3a,9b-tetrahydro-1H-cyc...)
Show SMILES NC1=Nc2c(F)c(F)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12F2N2/c13-9-5-4-7-6-2-1-3-8(6)12(15)16-11(7)10(9)14/h4-6,8H,1-3H2,(H2,15,16)/t6-,8-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50117562
PNG
((3aR,9bS)-8-Chloro-6-fluoro-2,3,3a,9b-tetrahydro-1...)
Show SMILES NC1=Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12ClFN2/c13-6-4-9-7-2-1-3-8(7)12(15)16-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H2,15,16)/t7-,8+/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50139525
PNG
((3aS,9bR)-3a,6-Difluoro-2,3,3a,9b-tetrahydro-1H-cy...)
Show SMILES NC1=Nc2c(F)cccc2[C@H]2CCC[C@@]12F
Show InChI InChI=1S/C12H12F2N2/c13-9-5-1-3-7-8-4-2-6-12(8,14)11(15)16-10(7)9/h1,3,5,8H,2,4,6H2,(H2,15,16)/t8-,12+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50139525
PNG
((3aS,9bR)-3a,6-Difluoro-2,3,3a,9b-tetrahydro-1H-cy...)
Show SMILES NC1=Nc2c(F)cccc2[C@H]2CCC[C@@]12F
Show InChI InChI=1S/C12H12F2N2/c13-9-5-1-3-7-8-4-2-6-12(8,14)11(15)16-10(7)9/h1,3,5,8H,2,4,6H2,(H2,15,16)/t8-,12+/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50117562
PNG
((3aR,9bS)-8-Chloro-6-fluoro-2,3,3a,9b-tetrahydro-1...)
Show SMILES NC1=Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12ClFN2/c13-6-4-9-7-2-1-3-8(7)12(15)16-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H2,15,16)/t7-,8+/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human endothelial nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50117567
PNG
((3aR,9bS)-6,7-Difluoro-2,3,3a,9b-tetrahydro-1H-cyc...)
Show SMILES NC1=Nc2c(F)c(F)ccc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12F2N2/c13-9-5-4-7-6-2-1-3-8(6)12(15)16-11(7)10(9)14/h4-6,8H,1-3H2,(H2,15,16)/t6-,8-/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human neuronal nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50117562
PNG
((3aR,9bS)-8-Chloro-6-fluoro-2,3,3a,9b-tetrahydro-1...)
Show SMILES NC1=Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H12ClFN2/c13-6-4-9-7-2-1-3-8(7)12(15)16-11(9)10(14)5-6/h4-5,7-8H,1-3H2,(H2,15,16)/t7-,8+/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 14: 743-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.022
BindingDB Entry DOI: 10.7270/Q2GB23F7
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50117559
PNG
(8-Fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quin...)
Show SMILES NC1=Nc2ccc(F)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C12H13FN2/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,8-9H,1-3H2,(H2,14,15)/t8-,9+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelial nitric oxide synthase.


Bioorg Med Chem Lett 12: 2561-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00481-x
BindingDB Entry DOI: 10.7270/Q2VD6XS8
More data for this
Ligand-Target Pair