Found 529 hits with Last Name = 'maddaford' and Initial = 'sp' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50176062
(3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...)Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
| DrugBank Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in CHO cells after 120 mins by scintillation counting |
J Med Chem 55: 3488-501 (2012)
Article DOI: 10.1021/jm300138g BindingDB Entry DOI: 10.7270/Q2KW5H2V |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50176062
(3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...)Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
| DrugBank Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in CHO cells after 120 mins by scintillation counting |
J Med Chem 55: 3488-501 (2012)
Article DOI: 10.1021/jm300138g BindingDB Entry DOI: 10.7270/Q2KW5H2V |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50206074
((+/-)-N-{2-[2-(1-methyl-pyrrolidin-2-yl)-ethylamin...)Show SMILES CN1CCCC1CCNc1nc2cc(ccc2s1)N=C(N)c1cccs1 |w:18.20| Show InChI InChI=1S/C19H23N5S2/c1-24-10-2-4-14(24)8-9-21-19-23-15-12-13(6-7-16(15)26-19)22-18(20)17-5-3-11-25-17/h3,5-7,11-12,14H,2,4,8-10H2,1H3,(H2,20,22)(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human neuronal NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401280
(CHEMBL3216124)Show InChI InChI=1S/C17H22N4S/c1-20(2)9-10-21-8-7-13-12-14(5-6-15(13)21)19-17(18)16-4-3-11-22-16/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50206073
(CHEMBL233652 | N-[2-(2-pyridin-2-yl-ethylamino)-be...)Show SMILES NC(=Nc1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C19H17N5S2/c20-18(16-5-3-11-25-16)23-14-6-7-15-17(12-14)26-19(24-15)22-10-8-13-4-1-2-9-21-13/h1-7,9,11-12H,8,10H2,(H2,20,23)(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of rat neuronal NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50365335
(CHEMBL1955937)Show InChI InChI=1S/C17H22N4OS/c18-17(16-2-1-11-23-16)20-14-4-3-13-5-8-21(15(13)12-14)9-6-19-7-10-22/h1-4,11-12,19,22H,5-10H2,(H2,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline ... |
J Med Chem 55: 943-55 (2012)
Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50379744
(CHEMBL2011136)Show SMILES CN1CCC(C1)N1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:17.19| Show InChI InChI=1S/C20H26N4S/c1-23-11-9-17(14-23)24-10-3-2-5-15-13-16(7-8-18(15)24)22-20(21)19-6-4-12-25-19/h4,6-8,12-13,17H,2-3,5,9-11,14H2,1H3,(H2,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrull... |
Bioorg Med Chem Lett 22: 2510-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401282
(CHEMBL3216566)Show InChI InChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-3-4-15-12(10-13)6-8-21(15)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50357692
(CHEMBL1915288)Show SMILES NC(=Nc1ccc2N(CCCN3CCCC3)CCCc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C21H28N4S/c22-21(20-7-4-15-26-20)23-18-8-9-19-17(16-18)6-3-13-25(19)14-5-12-24-10-1-2-11-24/h4,7-9,15-16H,1-3,5-6,10-14H2,(H2,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincu... |
J Med Chem 54: 5562-75 (2011)
Article DOI: 10.1021/jm200648s BindingDB Entry DOI: 10.7270/Q2222V58 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50206064
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of rat neuronal NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50357690
(CHEMBL1915286)Show SMILES CN(C)CCN1CCCc2cc(cc(F)c12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C18H23FN4S/c1-22(2)8-9-23-7-3-5-13-11-14(12-15(19)17(13)23)21-18(20)16-6-4-10-24-16/h4,6,10-12H,3,5,7-9H2,1-2H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincu... |
J Med Chem 54: 5562-75 (2011)
Article DOI: 10.1021/jm200648s BindingDB Entry DOI: 10.7270/Q2222V58 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50394745
(CHEMBL2165821)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50209508
(CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...)Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 expressed in insect microsome after 45 mins |
Bioorg Med Chem 15: 3854-68 (2007)
Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50357687
(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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincu... |
J Med Chem 54: 5562-75 (2011)
Article DOI: 10.1021/jm200648s BindingDB Entry DOI: 10.7270/Q2222V58 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50206065
(CHEMBL233655 | N-{2-[1-(3-methoxy-benzyl)-piperidi...)Show SMILES COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1 |w:24.26| Show InChI InChI=1S/C25H27N5OS2/c1-31-20-5-2-4-17(14-20)16-30-11-9-18(10-12-30)28-25-29-21-8-7-19(15-23(21)33-25)27-24(26)22-6-3-13-32-22/h2-8,13-15,18H,9-12,16H2,1H3,(H2,26,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human neuronal NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50379740
(CHEMBL2011132)Show SMILES CNCCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C18H24N4S/c1-20-9-11-22-10-3-2-5-14-13-15(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrull... |
Bioorg Med Chem Lett 22: 2510-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50365334
(CHEMBL1955936)Show SMILES NC(=Nc1ccc2CCN(CCN3CC[C@@H](O)C3)c2c1)c1cccs1 |r,w:2.2| Show InChI InChI=1S/C19H24N4OS/c20-19(18-2-1-11-25-18)21-15-4-3-14-5-8-23(17(14)12-15)10-9-22-7-6-16(24)13-22/h1-4,11-12,16,24H,5-10,13H2,(H2,20,21)/t16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline ... |
J Med Chem 55: 943-55 (2012)
Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401271
(CHEMBL2203713 | CHEMBL3216328)Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50394739
(CHEMBL2165827)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/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
(Rattus norvegicus (rat)) | BDBM50379737
(CHEMBL2011128)Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of rat nNOS |
Bioorg Med Chem Lett 22: 2510-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50355311
(CHEMBL1835114)Show SMILES CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18| Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min... |
J Med Chem 54: 7408-16 (2011)
Article DOI: 10.1021/jm201063u BindingDB Entry DOI: 10.7270/Q2JQ1201 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401279
(CHEMBL3215893)Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCN3CCCC3)CCc2c1)c1cccs1 Show InChI InChI=1S/C19H24N4S/c20-19(18-4-3-13-24-18)21-16-5-6-17-15(14-16)7-10-23(17)12-11-22-8-1-2-9-22/h3-6,13-14H,1-2,7-12H2,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50357688
(CHEMBL1915284)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-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincu... |
J Med Chem 54: 5562-75 (2011)
Article DOI: 10.1021/jm200648s BindingDB Entry DOI: 10.7270/Q2222V58 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50394744
(CHEMBL2165822)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2165825)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50379738
(CHEMBL2011129)Show SMILES NC(=Nc1ccc2N(CCN3CCCC3)CCCCc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C21H28N4S/c22-21(20-7-5-15-26-20)23-18-8-9-19-17(16-18)6-1-2-12-25(19)14-13-24-10-3-4-11-24/h5,7-9,15-16H,1-4,6,10-14H2,(H2,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrull... |
Bioorg Med Chem Lett 22: 2510-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50357681
(CHEMBL1915277)Show SMILES NC(=Nc1ccc2N(CCN3CCCC3)C(=O)CCc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H24N4OS/c21-20(18-4-3-13-26-18)22-16-6-7-17-15(14-16)5-8-19(25)24(17)12-11-23-9-1-2-10-23/h3-4,6-7,13-14H,1-2,5,8-12H2,(H2,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincu... |
J Med Chem 54: 5562-75 (2011)
Article DOI: 10.1021/jm200648s BindingDB Entry DOI: 10.7270/Q2222V58 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50384903
(CHEMBL2036267)Show SMILES CN(C)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:6.9,3.2,(16.22,-3.48,;14.68,-3.47,;13.92,-2.13,;13.9,-4.8,;12.36,-4.79,;11.58,-6.12,;12.34,-7.45,;13.89,-7.46,;14.66,-6.14,;11.56,-8.78,;12.48,-10.03,;11.56,-11.28,;10.09,-10.81,;8.76,-11.58,;7.42,-10.81,;7.42,-9.26,;8.75,-8.49,;10.09,-9.25,;6.09,-8.49,;4.76,-9.26,;4.76,-10.8,;3.42,-8.49,;3.4,-6.95,;1.93,-6.5,;1.05,-7.76,;1.97,-8.99,)| Show InChI InChI=1S/C21H26N4S/c1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20/h3-4,7,10-14,16,23H,5-6,8-9H2,1-2H3,(H2,22,24)/t14-,16+ | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in CHO cells after 120 mins by scintillation counting |
J Med Chem 55: 3488-501 (2012)
Article DOI: 10.1021/jm300138g BindingDB Entry DOI: 10.7270/Q2KW5H2V |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401276
(CHEMBL3215678)Show SMILES Cl.Cl.OCCN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C20H26N4OS/c21-20(19-2-1-13-26-19)22-16-3-4-18-15(14-16)5-10-24(18)17-6-8-23(9-7-17)11-12-25/h1-4,13-14,17,25H,5-12H2,(H2,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50394737
(CHEMBL2165829)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2165820)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50365336
(CHEMBL1955938)Show SMILES NC(=Nc1ccc2CCN(C3CCNC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-4-3-12-6-8-21(15(12)10-13)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline ... |
J Med Chem 55: 943-55 (2012)
Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM106698
(CHEMBL1957349 | US8586620, 42)Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline |
Bioorg Med Chem Lett 22: 1980-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.031 BindingDB Entry DOI: 10.7270/Q2Q52Q3N |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50209508
(CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...)Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin substrate after 30 mins |
Bioorg Med Chem 15: 3854-68 (2007)
Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401275
(CHEMBL3216789)Show SMILES Cl.Cl.CN1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C19H24N4S/c1-22-9-7-16(8-10-22)23-11-6-14-13-15(4-5-17(14)23)21-19(20)18-3-2-12-24-18/h2-5,12-13,16H,6-11H2,1H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401272
(CHEMBL3142587)Show SMILES Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-4-7-17(8-5-15)24-11-10-14-13-16(6-9-18(14)24)23-20(21)19-3-2-12-25-19/h2-3,6,9,12-13,15,17,22H,4-5,7-8,10-11H2,1H3,(H2,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50401272
(CHEMBL3142587)Show SMILES Cl.Cl.CNC1CCC(CC1)N1CCc2cc(NC(=N)c3cccs3)ccc12 |(47.17,-50.39,;48.51,-54.45,;43.8,-61.64,;44.83,-60.5,;44.36,-59.03,;42.86,-58.7,;42.39,-57.24,;43.42,-56.11,;44.93,-56.42,;45.4,-57.89,;42.94,-54.64,;43.85,-53.39,;42.94,-52.13,;41.47,-52.61,;40.13,-51.85,;38.8,-52.62,;37.47,-51.85,;36.14,-52.62,;36.14,-54.16,;34.8,-51.85,;34.78,-50.3,;33.3,-49.86,;32.42,-51.12,;33.36,-52.35,;38.8,-54.16,;40.14,-54.93,;41.47,-54.16,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-4-7-17(8-5-15)24-11-10-14-13-16(6-9-18(14)24)23-20(21)19-3-2-12-25-19/h2-3,6,9,12-13,15,17,22H,4-5,7-8,10-11H2,1H3,(H2,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc... |
Eur J Med Chem 55: 94-107 (2012)
Article DOI: 10.1016/j.ejmech.2012.07.006 BindingDB Entry DOI: 10.7270/Q2GQ6ZWQ |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50384902
(CHEMBL2036276)Show SMILES CCN[C@H]1CCC[C@@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20| Show InChI InChI=1S/C21H26N4S/c1-2-23-15-6-3-5-14(11-15)18-13-24-19-9-8-16(12-17(18)19)25-21(22)20-7-4-10-26-20/h4,7-10,12-15,23-24H,2-3,5-6,11H2,1H3,(H2,22,25)/t14-,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human nNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubat... |
J Med Chem 55: 3488-501 (2012)
Article DOI: 10.1021/jm300138g BindingDB Entry DOI: 10.7270/Q2KW5H2V |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50206080
(CHEMBL233444 | N-{2-[1-(4-fluoro-benzyl)-piperidin...)Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccc(F)cc4)CC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C24H24FN5S2/c25-17-5-3-16(4-6-17)15-30-11-9-18(10-12-30)28-24-29-20-8-7-19(14-22(20)32-24)27-23(26)21-2-1-13-31-21/h1-8,13-14,18H,9-12,15H2,(H2,26,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human neuronal NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50206070
(CHEMBL412797 | N-[2-(2-morpholin-4-yl-ethylamino)-...)Show SMILES NC(=Nc1ccc2nc(NCCN3CCOCC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H21N5OS2/c19-17(15-2-1-11-25-15)21-13-3-4-14-16(12-13)26-18(22-14)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H2,19,21)(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human neuronal NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50206076
(CHEMBL234498 | N-{2-[1-(4-methoxy-benzyl)-piperidi...)Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)cc1 |w:23.25| Show InChI InChI=1S/C25H27N5OS2/c1-31-20-7-4-17(5-8-20)16-30-12-10-18(11-13-30)28-25-29-21-9-6-19(15-23(21)33-25)27-24(26)22-3-2-14-32-22/h2-9,14-15,18H,10-13,16H2,1H3,(H2,26,27)(H,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human neuronal NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50355309
(CHEMBL1835013)Show SMILES CN1CCC(C1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:15.17| Show InChI InChI=1S/C18H20N4S/c1-22-7-6-12(11-22)15-10-20-16-9-13(4-5-14(15)16)21-18(19)17-3-2-8-23-17/h2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min... |
J Med Chem 54: 7408-16 (2011)
Article DOI: 10.1021/jm201063u BindingDB Entry DOI: 10.7270/Q2JQ1201 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50206067
(CHEMBL233228 | N-(2-amino-benzothiazol-5-yl)-thiop...)Show InChI InChI=1S/C12H10N4S2/c13-11(10-2-1-5-17-10)15-7-3-4-9-8(6-7)16-12(14)18-9/h1-6H,(H2,13,15)(H2,14,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human neuronal NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50206082
(CHEMBL397506 | N-(2-amino-benzothiazol-6-yl)-thiop...)Show InChI InChI=1S/C12H10N4S2/c13-11(9-2-1-5-17-9)15-7-3-4-8-10(6-7)18-12(14)16-8/h1-6H,(H2,13,15)(H2,14,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human neuronal NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50357687
(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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of rat nNOS |
J Med Chem 54: 5562-75 (2011)
Article DOI: 10.1021/jm200648s BindingDB Entry DOI: 10.7270/Q2222V58 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50394742
(CHEMBL2165824)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL2165828)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50357689
(CHEMBL1915285)Show SMILES CCN(CC)CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:17.18| Show InChI InChI=1S/C20H28N4S/c1-3-23(4-2)12-13-24-11-5-7-16-15-17(9-10-18(16)24)22-20(21)19-8-6-14-25-19/h6,8-10,14-15H,3-5,7,11-13H2,1-2H3,(H2,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincu... |
J Med Chem 54: 5562-75 (2011)
Article DOI: 10.1021/jm200648s BindingDB Entry DOI: 10.7270/Q2222V58 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50394740
(CHEMBL2165826)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 267 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50357691
(CHEMBL1915287)Show SMILES CN(C)CCCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)10-5-12-23-11-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-4-13-24-18/h4,7-9,13-14H,3,5-6,10-12H2,1-2H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant nNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincu... |
J Med Chem 54: 5562-75 (2011)
Article DOI: 10.1021/jm200648s BindingDB Entry DOI: 10.7270/Q2222V58 |
More data for this Ligand-Target Pair | |