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4 similar compounds to monomer 50441013

Compile data set for download or QSAR
Wt: 331.4
BDBM50441010
Wt: 331.4
BDBM50441011
Wt: 345.4
BDBM50441014
Wt: 345.4
BDBM50441015

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50441010,50441011,50441014,50441015   
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


(Homo sapiens (Human))
BDBM50441011
PNG
(CHEMBL2430144 | US9732037, Compound 15)
Show SMILES Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
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32n/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


(Rattus norvegicus (rat))
BDBM50441011
PNG
(CHEMBL2430144 | US9732037, Compound 15)
Show SMILES Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
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32n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50441015
PNG
(CHEMBL2430148 | US9732037, Compound 18)
Show SMILES Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1
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232n/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


(Rattus norvegicus (rat))
BDBM50441015
PNG
(CHEMBL2430148 | US9732037, Compound 18)
Show SMILES Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1
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232n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric-oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50441010
PNG
(CHEMBL2430143 | US9732037, Compound 14)
Show SMILES Cc1cc(N)nc(COC[C@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1
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382n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50441010
PNG
(CHEMBL2430143 | US9732037, Compound 14)
Show SMILES Cc1cc(N)nc(COC[C@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1
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382n/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


(Rattus norvegicus (rat))
BDBM50441014
PNG
(CHEMBL2430147 | US9732037, Compound 17)
Show SMILES Cc1cc(N)nc(COC[C@@H](CCN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)9-24-11-16(3-4-19)25-10-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m1/s1
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881n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50441014
PNG
(CHEMBL2430147 | US9732037, Compound 17)
Show SMILES Cc1cc(N)nc(COC[C@@H](CCN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)9-24-11-16(3-4-19)25-10-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m1/s1
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881n/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))
BDBM50441011
PNG
(CHEMBL2430144 | US9732037, Compound 15)
Show SMILES Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
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7.81E+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))
BDBM50441011
PNG
(CHEMBL2430144 | US9732037, Compound 15)
Show SMILES Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
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7.82E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50441015
PNG
(CHEMBL2430148 | US9732037, Compound 18)
Show SMILES Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1
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1.07E+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, inducible


(Mus musculus (mouse))
BDBM50441015
PNG
(CHEMBL2430148 | US9732037, Compound 18)
Show SMILES Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1
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1.07E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50441011
PNG
(CHEMBL2430144 | US9732037, Compound 15)
Show SMILES Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
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1.52E+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
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50441011
PNG
(CHEMBL2430144 | US9732037, Compound 15)
Show SMILES Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
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1.52E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50441015
PNG
(CHEMBL2430148 | US9732037, Compound 18)
Show SMILES Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1
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2.02E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50441015
PNG
(CHEMBL2430148 | US9732037, Compound 18)
Show SMILES Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1
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2.02E+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
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50441010
PNG
(CHEMBL2430143 | US9732037, Compound 14)
Show SMILES Cc1cc(N)nc(COC[C@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1
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2.64E+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
3D
3D Structure (crystal)
Nitric Oxide Synthase, endothelial


(Bos taurus (bovine))
BDBM50441010
PNG
(CHEMBL2430143 | US9732037, Compound 14)
Show SMILES Cc1cc(N)nc(COC[C@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1
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2.64E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50441014
PNG
(CHEMBL2430147 | US9732037, Compound 17)
Show SMILES Cc1cc(N)nc(COC[C@@H](CCN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)9-24-11-16(3-4-19)25-10-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m1/s1
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3.14E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50441014
PNG
(CHEMBL2430147 | US9732037, Compound 17)
Show SMILES Cc1cc(N)nc(COC[C@@H](CCN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)9-24-11-16(3-4-19)25-10-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m1/s1
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US Patent
3.14E+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, inducible


(Mus musculus (mouse))
BDBM50441010
PNG
(CHEMBL2430143 | US9732037, Compound 14)
Show SMILES Cc1cc(N)nc(COC[C@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1
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4.08E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50441010
PNG
(CHEMBL2430143 | US9732037, Compound 14)
Show SMILES Cc1cc(N)nc(COC[C@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1
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4.08E+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


(Homo sapiens (Human))
BDBM50441014
PNG
(CHEMBL2430147 | US9732037, Compound 17)
Show SMILES Cc1cc(N)nc(COC[C@@H](CCN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)9-24-11-16(3-4-19)25-10-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m1/s1
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6.70E+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))
BDBM50441014
PNG
(CHEMBL2430147 | US9732037, Compound 17)
Show SMILES Cc1cc(N)nc(COC[C@@H](CCN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)9-24-11-16(3-4-19)25-10-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m1/s1
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6.70E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay


Bioorg Med Chem Lett 23: 5674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.034
BindingDB Entry DOI: 10.7270/Q2MC91G3
More data for this
Ligand-Target Pair
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50441010
PNG
(CHEMBL2430143 | US9732037, Compound 14)
Show SMILES Cc1cc(N)nc(COC[C@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1
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n/an/an/a 1.87E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Biochemistry 54: 4075-82 (2015)


Article DOI: 10.1021/acs.biochem.5b00431
BindingDB Entry DOI: 10.7270/Q2Q23Z0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50441015
PNG
(CHEMBL2430148 | US9732037, Compound 18)
Show SMILES Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1
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n/an/an/a 3.79E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Biochemistry 54: 4075-82 (2015)


Article DOI: 10.1021/acs.biochem.5b00431
BindingDB Entry DOI: 10.7270/Q2Q23Z0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)