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PubMed code 26469213

Compile data set for download or QSAR
Found 58 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, brain


(Rattus norvegicus (rat))		BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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 43n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449046
PNG
(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Show SMILES Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
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 49n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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 58n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449038
PNG
(CHEMBL3126204 | US9212144, 15 (Ex. 17))
Show SMILES Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
Show InChI InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
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 66n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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<100n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity to alpha2C adrenergic receptor (unknown origin)

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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<100n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity to SERT (unknown origin)

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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<100n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor (unknown origin)

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50266604
PNG
(CHEMBL3736586)
Show SMILES CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
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 142n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344421
PNG
(US9783500, Compound 16)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1F
Show InChI InChI=1S/C18H18FN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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 147n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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 160n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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 179n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50499073
PNG
(CHEMBL3736445)
Show SMILES Cl.Cl.CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-8-17(9-5-14)23-13-15-3-6-16-7-10-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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 283n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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 295n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50449046
PNG
(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Show SMILES Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
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 318n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344413
PNG
(US9783500, Compound 8)
Show SMILES CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
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 332n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344420
PNG
(US9783500, Compound 15)
Show SMILES CNCc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-7-16(8-4-13)22-12-14-2-5-15-6-9-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
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 332n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50499074
PNG
(CHEMBL3736069)
Show SMILES CNC(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-13(21-2)16-4-3-5-17(11-16)23-12-14-6-7-15-8-9-19(20)22-18(15)10-14/h3-11,13,21H,12H2,1-2H3,(H2,20,22)
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 360n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344418
PNG
(US9783500, Compound 13)
Show SMILES CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
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 375n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50449038
PNG
(CHEMBL3126204 | US9212144, 15 (Ex. 17))
Show SMILES Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
Show InChI InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
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 440n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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 468n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344417
PNG
(US9783500, Compound 12)
Show SMILES CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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 475n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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 507n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344419
PNG
(US9783500, Compound 14)
Show SMILES CNCc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H20N4/c1-20-11-13-3-2-4-16(9-13)21-12-14-5-6-15-7-8-18(19)22-17(15)10-14/h2-10,20-21H,11-12H2,1H3,(H2,19,22)
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 569n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344414
PNG
(US9783500, Compound 9)
Show SMILES CN(C)CCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C21H25N3O/c1-24(2)12-4-6-16-5-3-7-19(13-16)25-15-17-8-9-18-10-11-21(22)23-20(18)14-17/h3,5,7-11,13-14H,4,6,12,15H2,1-2H3,(H2,22,23)
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 652n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM344418
PNG
(US9783500, Compound 13)
Show SMILES CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
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 657n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344409
PNG
(US9783500, Compound 5)
Show SMILES Nc1ccc2ccc(COc3cccnc3)cc2n1
Show InChI InChI=1S/C15H13N3O/c16-15-6-5-12-4-3-11(8-14(12)18-15)10-19-13-2-1-7-17-9-13/h1-9H,10H2,(H2,16,18)
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 712n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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 855n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50266604
PNG
(CHEMBL3736586)
Show SMILES CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
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 911n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50499073
PNG
(CHEMBL3736445)
Show SMILES Cl.Cl.CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-8-17(9-5-14)23-13-15-3-6-16-7-10-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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 1.08E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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 1.86E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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 3.31E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM344416
PNG
(US9783500, Compound 11)
Show SMILES CN(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H19N3O/c1-21(2)15-4-3-5-16(11-15)22-12-13-6-7-14-8-9-18(19)20-17(14)10-13/h3-11H,12H2,1-2H3,(H2,19,20)
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>5.75E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50449038
PNG
(CHEMBL3126204 | US9212144, 15 (Ex. 17))
Show SMILES Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
Show InChI InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
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 7.24E+3n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50449046
PNG
(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Show SMILES Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
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 1.12E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344421
PNG
(US9783500, Compound 16)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1F
Show InChI InChI=1S/C18H18FN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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 1.14E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM344418
PNG
(US9783500, Compound 13)
Show SMILES CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
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 1.15E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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 1.25E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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 1.29E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344410
PNG
(US9783500, Compound 18 | US9783500, Compound 6)
Show SMILES CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H18N4O/c1-19-8-13-6-15(10-20-9-13)22-11-12-2-3-14-4-5-17(18)21-16(14)7-12/h2-7,9-10,19H,8,11H2,1H3,(H2,18,21)
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 1.35E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM344413
PNG
(US9783500, Compound 8)
Show SMILES CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
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 1.51E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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 1.77E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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 1.80E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50266604
PNG
(CHEMBL3736586)
Show SMILES CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
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 2.53E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344422
PNG
(US9783500, Compound 17)
Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl
Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)
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 2.77E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50449038
PNG
(CHEMBL3126204 | US9212144, 15 (Ex. 17))
Show SMILES Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
Show InChI InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
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 2.84E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM344417
PNG
(US9783500, Compound 12)
Show SMILES CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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 3.10E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50499073
PNG
(CHEMBL3736445)
Show SMILES Cl.Cl.CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-8-17(9-5-14)23-13-15-3-6-16-7-10-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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 3.14E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344418
PNG
(US9783500, Compound 13)
Show SMILES CN(C)Cc1cccc(NCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H22N4/c1-23(2)13-15-4-3-5-17(10-15)21-12-14-6-7-16-8-9-19(20)22-18(16)11-14/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
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 3.32E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50266604
PNG
(CHEMBL3736586)
Show SMILES CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
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 3.32E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344412
PNG
(US9783500, Compound 7)
Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
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 3.36E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344413
PNG
(US9783500, Compound 8)
Show SMILES CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
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 4.36E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50449046
PNG
(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Show SMILES Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
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 4.40E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344420
PNG
(US9783500, Compound 15)
Show SMILES CNCc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-7-16(8-4-13)22-12-14-2-5-15-6-9-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)
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 4.87E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344408
PNG
(US9783500, Compound 10 | US9783500, Compound 4)
Show SMILES CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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 6.02E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50499074
PNG
(CHEMBL3736069)
Show SMILES CNC(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C19H21N3O/c1-13(21-2)16-4-3-5-17(11-16)23-12-14-6-7-15-8-9-19(20)22-18(15)10-14/h3-11,13,21H,12H2,1-2H3,(H2,20,22)
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 6.71E+4n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50499073
PNG
(CHEMBL3736445)
Show SMILES Cl.Cl.CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
Show InChI InChI=1S/C19H21N3O/c1-22(2)12-14-4-8-17(9-5-14)23-13-15-3-6-16-7-10-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
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 1.17E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344407
PNG
(US9783500, Compound 3)
Show SMILES CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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 1.50E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM344417
PNG
(US9783500, Compound 12)
Show SMILES CN(C)CCOc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Show InChI InChI=1S/C20H23N3O2/c1-23(2)10-11-24-17-4-3-5-18(13-17)25-14-15-6-7-16-8-9-20(21)22-19(16)12-15/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
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 1.78E+5n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay

J Med Chem 58: 8694-712 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01330
BindingDB Entry DOI: 10.7270/Q2R214C3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%