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7 similar compounds to monomer 50446252

Compile data set for download or QSAR
Wt: 389.4
BDBM50446245
Wt: 389.4
BDBM50446246
Wt: 401.5
BDBM50446247
Wt: 401.5
BDBM50446248
Wt: 357.4
BDBM50446249
Wt: 357.4
BDBM50446250
Wt: 357.4
BDBM50446251

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50446245,50446246,50446247,50446248,50446249,50446250,50446251   
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, brain


(Rattus norvegicus (rat))
BDBM50446250
PNG
(CHEMBL3109188 | US9732037, Compound 9)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
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9.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50446250
PNG
(CHEMBL3109188 | US9732037, Compound 9)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
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10n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50446249
PNG
(CHEMBL3109189 | US9732037, Compound 8)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m0/s1
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31n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50446249
PNG
(CHEMBL3109189 | US9732037, Compound 8)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m0/s1
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31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50446251
PNG
(CHEMBL3109187 | US9732037, Compound 7)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m1/s1
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34n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50446251
PNG
(CHEMBL3109187 | US9732037, Compound 7)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m1/s1
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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50446248
PNG
(CHEMBL3109190 | US9732037, Compound 10)
Show SMILES Cc1cc(N)nc(COCCOC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19+/m0/s1
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70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50446248
PNG
(CHEMBL3109190 | US9732037, Compound 10)
Show SMILES Cc1cc(N)nc(COCCOC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19+/m0/s1
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70n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50446246
PNG
(CHEMBL3109192 | US9732037, Compound 12)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20+/m0/s1
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153n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50446246
PNG
(CHEMBL3109192 | US9732037, Compound 12)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20+/m0/s1
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153n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50446247
PNG
(CHEMBL3109191 | US9732037, Compound 11)
Show SMILES Cc1cc(N)nc(COCCOC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19-/m1/s1
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199n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50446247
PNG
(CHEMBL3109191 | US9732037, Compound 11)
Show SMILES Cc1cc(N)nc(COCCOC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19-/m1/s1
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199n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50446245
PNG
(CHEMBL3109193 | US9732037, Compound 13)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20-/m1/s1
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330n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50446245
PNG
(CHEMBL3109193 | US9732037, Compound 13)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20-/m1/s1
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330n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50446249
PNG
(CHEMBL3109189 | US9732037, Compound 8)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50446249
PNG
(CHEMBL3109189 | US9732037, Compound 8)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50446248
PNG
(CHEMBL3109190 | US9732037, Compound 10)
Show SMILES Cc1cc(N)nc(COCCOC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19+/m0/s1
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2.32E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50446248
PNG
(CHEMBL3109190 | US9732037, Compound 10)
Show SMILES Cc1cc(N)nc(COCCOC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19+/m0/s1
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2.32E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50446249
PNG
(CHEMBL3109189 | US9732037, Compound 8)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m0/s1
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2.36E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50446249
PNG
(CHEMBL3109189 | US9732037, Compound 8)
Show SMILES Cc1cc(N)nc(COC[C@@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m0/s1
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2.36E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50446250
PNG
(CHEMBL3109188 | US9732037, Compound 9)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
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2.87E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50446250
PNG
(CHEMBL3109188 | US9732037, Compound 9)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
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2.95E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50446251
PNG
(CHEMBL3109187 | US9732037, Compound 7)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m1/s1
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3.47E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50446251
PNG
(CHEMBL3109187 | US9732037, Compound 7)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m1/s1
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3.47E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50446251
PNG
(CHEMBL3109187 | US9732037, Compound 7)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m1/s1
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5.59E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50446251
PNG
(CHEMBL3109187 | US9732037, Compound 7)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17-/m1/s1
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5.59E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50446246
PNG
(CHEMBL3109192 | US9732037, Compound 12)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20+/m0/s1
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5.86E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50446246
PNG
(CHEMBL3109192 | US9732037, Compound 12)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20+/m0/s1
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5.86E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50446248
PNG
(CHEMBL3109190 | US9732037, Compound 10)
Show SMILES Cc1cc(N)nc(COCCOC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19+/m0/s1
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6.25E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50446248
PNG
(CHEMBL3109190 | US9732037, Compound 10)
Show SMILES Cc1cc(N)nc(COCCOC[C@@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19+/m0/s1
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6.25E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50446250
PNG
(CHEMBL3109188 | US9732037, Compound 9)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
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6.73E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50446250
PNG
(CHEMBL3109188 | US9732037, Compound 9)
Show SMILES Cc1cc(N)nc(COC[C@H]2C[C@@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C19H27N5O2/c1-12-3-15(23-18(20)5-12)10-25-9-14-7-17(8-22-14)26-11-16-4-13(2)6-19(21)24-16/h3-6,14,17,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,17+/m1/s1
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US Patent
6.93E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50446246
PNG
(CHEMBL3109192 | US9732037, Compound 12)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20+/m0/s1
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7.96E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50446246
PNG
(CHEMBL3109192 | US9732037, Compound 12)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20+/m0/s1
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US Patent
7.96E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50446245
PNG
(CHEMBL3109193 | US9732037, Compound 13)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20-/m1/s1
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8.47E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50446245
PNG
(CHEMBL3109193 | US9732037, Compound 13)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20-/m1/s1
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8.47E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50446247
PNG
(CHEMBL3109191 | US9732037, Compound 11)
Show SMILES Cc1cc(N)nc(COCCOC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19-/m1/s1
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9.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50446247
PNG
(CHEMBL3109191 | US9732037, Compound 11)
Show SMILES Cc1cc(N)nc(COCCOC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19-/m1/s1
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9.30E+3n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50446245
PNG
(CHEMBL3109193 | US9732037, Compound 13)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20-/m1/s1
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1.17E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50446245
PNG
(CHEMBL3109193 | US9732037, Compound 13)
Show SMILES Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1
Show InChI InChI=1S/C21H28FN3O3/c1-15-7-19(25-21(23)8-15)14-28-20-10-18(24-11-20)13-27-6-5-26-12-16-3-2-4-17(22)9-16/h2-4,7-9,18,20,24H,5-6,10-14H2,1H3,(H2,23,25)/t18-,20-/m1/s1
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Article
PubMed
1.17E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
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Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50446247
PNG
(CHEMBL3109191 | US9732037, Compound 11)
Show SMILES Cc1cc(N)nc(COCCOC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19-/m1/s1
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1.36E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m...


Citation and Details

Article DOI: 10.1021/ml400381s
BindingDB Entry DOI: 10.7270/Q2GT5PMG
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50446247
PNG
(CHEMBL3109191 | US9732037, Compound 11)
Show SMILES Cc1cc(N)nc(COCCOC[C@H]2C[C@H](CN2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C21H31N5O3/c1-14-5-17(25-20(22)7-14)12-28-4-3-27-11-16-9-19(10-24-16)29-13-18-6-15(2)8-21(23)26-18/h5-8,16,19,24H,3-4,9-13H2,1-2H3,(H2,22,25)(H2,23,26)/t16-,19-/m1/s1
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US Patent
1.36E+4n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre...


US Patent US9732037 (2017)

More data for this
Ligand-Target Pair