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PubMed code 24472039

Compile data set for download or QSAR
Found 39 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))		BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
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 7n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50448833
PNG
(CHEMBL3125048)
Show SMILES NC(=Nc1cccc(CNCCc2cccc(F)c2)c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)
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 11n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50330882
PNG
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
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 14n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449044
PNG
(CHEMBL3126211 | US9212144, 9 (Ex. 9))
Show SMILES Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23)
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 60n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
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 rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449048
PNG
(CHEMBL3126213 | US9212144, 5 (Ex. 8))
Show SMILES Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
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 75n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449045
PNG
(CHEMBL3126210 | US9212144, 8 (Ex. 21))
Show SMILES Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24)
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 164n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449039
PNG
(CHEMBL3126209 | US9212144, 14 (Ex. 16))
Show SMILES Nc1ccc2ccc(CCNCCc3ccc(F)cc3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-6-2-14(3-7-17)9-11-22-12-10-15-1-4-16-5-8-19(21)23-18(16)13-15/h1-8,13,22H,9-12H2,(H2,21,23)
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 183n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449037
PNG
(CHEMBL3126205 | US9212144, 16 (Ex. 18))
Show SMILES Nc1ccc2ccc(CCNCCc3ccc(Cl)cc3)cc2n1
Show InChI InChI=1S/C19H20ClN3/c20-17-6-2-14(3-7-17)9-11-22-12-10-15-1-4-16-5-8-19(21)23-18(16)13-15/h1-8,13,22H,9-12H2,(H2,21,23)
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 212n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449047
PNG
(CHEMBL3126214 | US9212144, 6 (Ex. 12))
Show SMILES Nc1ccc2ccc(CCNCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-14(10-16)12-21-9-8-13-4-5-15-6-7-18(20)22-17(15)11-13/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
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 254n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50449048
PNG
(CHEMBL3126213 | US9212144, 5 (Ex. 8))
Show SMILES Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
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 485n/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 assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50448833
PNG
(CHEMBL3125048)
Show SMILES NC(=Nc1cccc(CNCCc2cccc(F)c2)c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)
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 900n/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 assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50448833
PNG
(CHEMBL3125048)
Show SMILES NC(=Nc1cccc(CNCCc2cccc(F)c2)c1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)
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 1.60E+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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50449044
PNG
(CHEMBL3126211 | US9212144, 9 (Ex. 9))
Show SMILES Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23)
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 3.69E+3n/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 assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50330882
PNG
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
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 4.10E+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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449040
PNG
(CHEMBL3126208)
Show SMILES Nc1ccc2cc(CCNCCCc3cccc(F)c3)ccc2n1
Show InChI InChI=1S/C20H22FN3/c21-18-5-1-3-15(14-18)4-2-11-23-12-10-16-6-8-19-17(13-16)7-9-20(22)24-19/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24)
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 4.37E+3n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449042
PNG
(CHEMBL3126206 | US9212144, 11 (Ex. 28))
Show SMILES Nc1ccc2cc(CCNCc3cccc(F)c3)ccc2n1
Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-14(11-16)12-21-9-8-13-4-6-17-15(10-13)5-7-18(20)22-17/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
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>5.70E+3n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449043
PNG
(CHEMBL3126212 | US9212144, 10 (Ex. 25))
Show SMILES Nc1ccc2cc(CNCCc3cccc(F)c3)ccc2n1
Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-13(11-16)8-9-21-12-14-4-6-17-15(10-14)5-7-18(20)22-17/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
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>5.70E+3n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50449041
PNG
(CHEMBL3126207 | US9212144, 12 (Ex. 29))
Show SMILES Nc1ccc2cc(CCNCCc3cccc(F)c3)ccc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-3-1-2-14(13-17)8-10-22-11-9-15-4-6-18-16(12-15)5-7-19(21)23-18/h1-7,12-13,22H,8-11H2,(H2,21,23)
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>5.70E+3n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
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 5.80E+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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
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 bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50449045
PNG
(CHEMBL3126210 | US9212144, 8 (Ex. 21))
Show SMILES Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24)
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 7.25E+3n/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 assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50449047
PNG
(CHEMBL3126214 | US9212144, 6 (Ex. 12))
Show SMILES Nc1ccc2ccc(CCNCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-14(10-16)12-21-9-8-13-4-5-15-6-7-18(20)22-17(15)11-13/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
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 7.77E+3n/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 assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50449039
PNG
(CHEMBL3126209 | US9212144, 14 (Ex. 16))
Show SMILES Nc1ccc2ccc(CCNCCc3ccc(F)cc3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-6-2-14(3-7-17)9-11-22-12-10-15-1-4-16-5-8-19(21)23-18(16)13-15/h1-8,13,22H,9-12H2,(H2,21,23)
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 8.86E+3n/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 assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50449048
PNG
(CHEMBL3126213 | US9212144, 5 (Ex. 8))
Show SMILES Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
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 9.14E+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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50449037
PNG
(CHEMBL3126205 | US9212144, 16 (Ex. 18))
Show SMILES Nc1ccc2ccc(CCNCCc3ccc(Cl)cc3)cc2n1
Show InChI InChI=1S/C19H20ClN3/c20-17-6-2-14(3-7-17)9-11-22-12-10-15-1-4-16-5-8-19(21)23-18(16)13-15/h1-8,13,22H,9-12H2,(H2,21,23)
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 9.89E+3n/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 assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
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 bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50328814
PNG
((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1
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 1.92E+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 assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50449037
PNG
(CHEMBL3126205 | US9212144, 16 (Ex. 18))
Show SMILES Nc1ccc2ccc(CCNCCc3ccc(Cl)cc3)cc2n1
Show InChI InChI=1S/C19H20ClN3/c20-17-6-2-14(3-7-17)9-11-22-12-10-15-1-4-16-5-8-19(21)23-18(16)13-15/h1-8,13,22H,9-12H2,(H2,21,23)
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 1.92E+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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50449047
PNG
(CHEMBL3126214 | US9212144, 6 (Ex. 12))
Show SMILES Nc1ccc2ccc(CCNCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-14(10-16)12-21-9-8-13-4-5-15-6-7-18(20)22-17(15)11-13/h1-7,10-11,21H,8-9,12H2,(H2,20,22)
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 2.45E+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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Bos taurus (bovine))		BDBM50330882
PNG
(CHEMBL1277951 | CHEMBL594682 | N1-((3R,4R)-4-((6-a...)
Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 |r|
Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
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 2.80E+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 assessed as NO production by hemoglobin capture ass...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50449045
PNG
(CHEMBL3126210 | US9212144, 8 (Ex. 21))
Show SMILES Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24)
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 3.19E+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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50449044
PNG
(CHEMBL3126211 | US9212144, 9 (Ex. 9))
Show SMILES Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23)
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 3.23E+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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
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 mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50449039
PNG
(CHEMBL3126209 | US9212144, 14 (Ex. 16))
Show SMILES Nc1ccc2ccc(CCNCCc3ccc(F)cc3)cc2n1
Show InChI InChI=1S/C19H20FN3/c20-17-6-2-14(3-7-17)9-11-22-12-10-15-1-4-16-5-8-19(21)23-18(16)13-15/h1-8,13,22H,9-12H2,(H2,21,23)
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 5.12E+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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))		BDBM50122307
PNG
(CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...)
Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)
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n/an/a 35n/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 assessed as NO production by hemoglobin capture assay

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))		BDBM50122307
PNG
(CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...)
Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)
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n/an/a 5.00E+3n/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 assessed as NO production by hemoglobin capture assa...

J Med Chem 57: 1513-30 (2014)


Article DOI: 10.1021/jm401838x
BindingDB Entry DOI: 10.7270/Q2MP54SZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%