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PubMed code 22335555

Compile data set for download or QSAR
Found 43 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


(Homo sapiens (Human))		BDBM50394745
PNG
(CHEMBL2165821)
Show SMILES CCN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
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n/an/a 97n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50394739
PNG
(CHEMBL2165827)
Show SMILES OCCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4OS/c19-18(17-4-2-12-24-17)21-15-5-6-16-14(13-15)3-1-9-22(16)10-7-20-8-11-23/h2,4-6,12-13,20,23H,1,3,7-11H2,(H2,19,21)
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n/an/a 115n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50394744
PNG
(CHEMBL2165822)
Show SMILES CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c1-22(11-12-24)9-10-23-8-2-4-15-14-16(6-7-17(15)23)21-19(20)18-5-3-13-25-18/h3,5-7,13-14,24H,2,4,8-12H2,1H3,(H2,20,21)
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n/an/a 133n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50394741
PNG
(CHEMBL2165825)
Show SMILES CCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-2-20-9-11-22-10-3-5-14-13-15(7-8-16(14)22)21-18(19)17-6-4-12-23-17/h4,6-8,12-13,20H,2-3,5,9-11H2,1H3,(H2,19,21)
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n/an/a 139n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50394737
PNG
(CHEMBL2165829)
Show SMILES OCCNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c20-19(18-5-2-13-25-18)22-16-6-7-17-15(14-16)4-1-10-23(17)11-3-8-21-9-12-24/h2,5-7,13-14,21,24H,1,3-4,8-12H2,(H2,20,22)
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n/an/a 169n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50394743
PNG
(CHEMBL2165820)
Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
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n/an/a 176n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50394742
PNG
(CHEMBL2165824)
Show SMILES CNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-20-9-4-11-22-10-2-5-14-13-15(7-8-16(14)22)21-18(19)17-6-3-12-23-17/h3,6-8,12-13,20H,2,4-5,9-11H2,1H3,(H2,19,21)
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n/an/a 235n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50394738
PNG
(CHEMBL2165828)
Show SMILES N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21)
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n/an/a 248n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50394740
PNG
(CHEMBL2165826)
Show SMILES CC(C)NCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-14(2)21-9-11-23-10-3-5-15-13-16(7-8-17(15)23)22-19(20)18-6-4-12-24-18/h4,6-8,12-14,21H,3,5,9-11H2,1-2H3,(H2,20,22)
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n/an/a 267n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50394742
PNG
(CHEMBL2165824)
Show SMILES CNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-20-9-4-11-22-10-2-5-14-13-15(7-8-16(14)22)21-18(19)17-6-3-12-23-17/h3,6-8,12-13,20H,2,4-5,9-11H2,1H3,(H2,19,21)
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n/an/a 2.25E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50394738
PNG
(CHEMBL2165828)
Show SMILES N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21)
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n/an/a 2.35E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50394740
PNG
(CHEMBL2165826)
Show SMILES CC(C)NCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-14(2)21-9-11-23-10-3-5-15-13-16(7-8-17(15)23)22-19(20)18-6-4-12-24-18/h4,6-8,12-14,21H,3,5,9-11H2,1-2H3,(H2,20,22)
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n/an/a 3.02E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50394739
PNG
(CHEMBL2165827)
Show SMILES OCCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4OS/c19-18(17-4-2-12-24-17)21-15-5-6-16-14(13-15)3-1-9-22(16)10-7-20-8-11-23/h2,4-6,12-13,20,23H,1,3,7-11H2,(H2,19,21)
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n/an/a 3.29E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50394745
PNG
(CHEMBL2165821)
Show SMILES CCN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
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n/an/a 3.33E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50394737
PNG
(CHEMBL2165829)
Show SMILES OCCNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c20-19(18-5-2-13-25-18)22-16-6-7-17-15(14-16)4-1-10-23(17)11-3-8-21-9-12-24/h2,5-7,13-14,21,24H,1,3-4,8-12H2,(H2,20,22)
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n/an/a 3.92E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50394743
PNG
(CHEMBL2165820)
Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
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n/an/a 4.07E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50394741
PNG
(CHEMBL2165825)
Show SMILES CCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-2-20-9-11-22-10-3-5-14-13-15(7-8-16(14)22)21-18(19)17-6-4-12-23-17/h4,6-8,12-13,20H,2-3,5,9-11H2,1H3,(H2,19,21)
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n/an/a 4.65E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50394744
PNG
(CHEMBL2165822)
Show SMILES CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c1-22(11-12-24)9-10-23-8-2-4-15-14-16(6-7-17(15)23)21-19(20)18-5-3-13-25-18/h3,5-7,13-14,24H,2,4,8-12H2,1H3,(H2,20,21)
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n/an/a 6.39E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50394739
PNG
(CHEMBL2165827)
Show SMILES OCCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4OS/c19-18(17-4-2-12-24-17)21-15-5-6-16-14(13-15)3-1-9-22(16)10-7-20-8-11-23/h2,4-6,12-13,20,23H,1,3,7-11H2,(H2,19,21)
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n/an/a 7.30E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50394740
PNG
(CHEMBL2165826)
Show SMILES CC(C)NCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-14(2)21-9-11-23-10-3-5-15-13-16(7-8-17(15)23)22-19(20)18-6-4-12-24-18/h4,6-8,12-14,21H,3,5,9-11H2,1-2H3,(H2,20,22)
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n/an/a 8.94E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50394737
PNG
(CHEMBL2165829)
Show SMILES OCCNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c20-19(18-5-2-13-25-18)22-16-6-7-17-15(14-16)4-1-10-23(17)11-3-8-21-9-12-24/h2,5-7,13-14,21,24H,1,3-4,8-12H2,(H2,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50394745
PNG
(CHEMBL2165821)
Show SMILES CCN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50394741
PNG
(CHEMBL2165825)
Show SMILES CCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-2-20-9-11-22-10-3-5-14-13-15(7-8-16(14)22)21-18(19)17-6-4-12-23-17/h4,6-8,12-13,20H,2-3,5,9-11H2,1H3,(H2,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50394744
PNG
(CHEMBL2165822)
Show SMILES CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c1-22(11-12-24)9-10-23-8-2-4-15-14-16(6-7-17(15)23)21-19(20)18-5-3-13-25-18/h3,5-7,13-14,24H,2,4,8-12H2,1H3,(H2,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50394743
PNG
(CHEMBL2165820)
Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50394742
PNG
(CHEMBL2165824)
Show SMILES CNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-20-9-4-11-22-10-2-5-14-13-15(7-8-16(14)22)21-18(19)17-6-3-12-23-17/h3,6-8,12-13,20H,2,4-5,9-11H2,1H3,(H2,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50394742
PNG
(CHEMBL2165824)
Show SMILES CNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-20-9-4-11-22-10-2-5-14-13-15(7-8-16(14)22)21-18(19)17-6-3-12-23-17/h3,6-8,12-13,20H,2,4-5,9-11H2,1H3,(H2,19,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50394744
PNG
(CHEMBL2165822)
Show SMILES CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c1-22(11-12-24)9-10-23-8-2-4-15-14-16(6-7-17(15)23)21-19(20)18-5-3-13-25-18/h3,5-7,13-14,24H,2,4,8-12H2,1H3,(H2,20,21)
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n/an/an/an/a 5.80E+3n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50394743
PNG
(CHEMBL2165820)
Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
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n/an/an/an/a>4.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M2 receptor by cell based functional assay

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50394743
PNG
(CHEMBL2165820)
Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
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n/an/an/an/a>4.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M4 receptor by cell based functional assay

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50394741
PNG
(CHEMBL2165825)
Show SMILES CCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4S/c1-2-20-9-11-22-10-3-5-14-13-15(7-8-16(14)22)21-18(19)17-6-4-12-23-17/h4,6-8,12-13,20H,2-3,5,9-11H2,1H3,(H2,19,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50394743
PNG
(CHEMBL2165820)
Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
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NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M3 receptor by cell based functional assay

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50394740
PNG
(CHEMBL2165826)
Show SMILES CC(C)NCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-14(2)21-9-11-23-10-3-5-15-13-16(7-8-17(15)23)22-19(20)18-6-4-12-24-18/h4,6-8,12-14,21H,3,5,9-11H2,1-2H3,(H2,20,22)
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n/an/an/an/a 2.75E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50357687
PNG
(CHEMBL1956112)
Show SMILES CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|
Show InChI InChI=1S/C21H28N4S/c1-24-11-3-6-18(24)10-13-25-12-2-5-16-15-17(8-9-19(16)25)23-21(22)20-7-4-14-26-20/h4,7-9,14-15,18H,2-3,5-6,10-13H2,1H3,(H2,22,23)/t18-/m0/s1
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n/an/an/an/a 4.70E+3n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50394743
PNG
(CHEMBL2165820)
Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
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NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human muscarinic M1 receptor by cell based functional assay

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50394737
PNG
(CHEMBL2165829)
Show SMILES OCCNCCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4OS/c20-19(18-5-2-13-25-18)22-16-6-7-17-15(14-16)4-1-10-23(17)11-3-8-21-9-12-24/h2,5-7,13-14,21,24H,1,3-4,8-12H2,(H2,20,22)
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NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50394738
PNG
(CHEMBL2165828)
Show SMILES N=C(Nc1ccc2N(CCCc2c1)C1CCNC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)3-1-9-22(16)15-7-8-20-12-15/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50394745
PNG
(CHEMBL2165821)
Show SMILES CCN(C)CCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C19H26N4S/c1-3-22(2)11-12-23-10-4-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)
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n/an/an/an/a 4.50E+3n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50394743
PNG
(CHEMBL2165820)
Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50394739
PNG
(CHEMBL2165827)
Show SMILES OCCNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
Show InChI InChI=1S/C18H24N4OS/c19-18(17-4-2-12-24-17)21-15-5-6-16-14(13-15)3-1-9-22(16)10-7-20-8-11-23/h2,4-6,12-13,20,23H,1,3,7-11H2,(H2,19,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...

J Med Chem 55: 2882-93 (2012)


Article DOI: 10.1021/jm3000449
BindingDB Entry DOI: 10.7270/Q24F1RV1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%