Compile Data Set for Download or QSAR

Found 811 hits with Last Name = 'annedi' and Initial = 'sc'   

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 SMILES CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13| 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	PDB 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
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255365 ((+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-...) 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+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vibrant Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 58: 1064-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00057 BindingDB Entry DOI: 10.7270/Q2348N2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50278675 ((+/-)-cis-6-((4-(2-(3-Fluorophenethylamino)-ethoxy...) 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+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vibrant Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 58: 1064-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00057 BindingDB Entry DOI: 10.7270/Q2348N2Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50072408 (CHEMBL228077) Show SMILES N[C@@H](CCC\N=C(/N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O Show InChI InChI=1S/C11H22N8O4/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18)/t6-,7+,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vibrant Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 58: 1064-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00057 BindingDB Entry DOI: 10.7270/Q2348N2Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50072407 (CHEMBL44833) Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O |r| Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vibrant Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat nNOS				J Med Chem 58: 1064-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00057 BindingDB Entry DOI: 10.7270/Q2348N2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176062 (3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...) Show SMILES CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13| 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	PDB 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))	BDBM111496 (US8618286, 22) Show SMILES CN(C)CCCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C18H24N4S2/c1-21(2)8-4-9-22-10-12-24-17-13-14(6-7-15(17)22)20-18(19)16-5-3-11-23-16/h3,5-7,11,13H,4,8-10,12H2,1-2H3,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50352593 (CHEMBL1825174) Show SMILES CN1CCC[C@H]1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |r,w:17.19| Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/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	20	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 conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method				Bioorg Med Chem Lett 21: 5301-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.022 BindingDB Entry DOI: 10.7270/Q2FN16KP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM111497 (US8618286, 23) Show SMILES CNCCCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C17H22N4S2/c1-19-7-3-8-21-9-11-23-16-12-13(5-6-14(16)21)20-17(18)15-4-2-10-22-15/h2,4-6,10,12,19H,3,7-9,11H2,1H3,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					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))	BDBM111490 (US8618286, 16) Show SMILES NC(=Nc1ccc2N(CCNCCO)CCSc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C17H22N4OS2/c18-17(15-2-1-10-23-15)20-13-3-4-14-16(12-13)24-11-8-21(14)7-5-19-6-9-22/h1-4,10,12,19,22H,5-9,11H2,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50401280 (CHEMBL3216124) Show SMILES Cl.Cl.CN(C)CCN1CCc2cc(NC(=N)c3cccs3)ccc12 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
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106707 (CHEMBL1957358 | US8586620, 67) Show SMILES CCSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:5.5,t:13| Show InChI InChI=1S/C17H22N4S/c1-3-22-17(18)20-13-4-5-16-14(10-13)15(11-19-16)12-6-8-21(2)9-7-12/h4-6,10-11,19H,3,7-9H2,1-2H3,(H2,18,20)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description 5-HT1D binding assays (agonist radioligand)were performed using bovine caudate membranes according to the methods of Heuring and Peroutka (J. Neurosc...				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					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))	BDBM111498 (US8618286, 24) Show SMILES CCNCCN1CCSc2ccc(cc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C17H22N4S2/c1-2-19-7-8-21-9-11-23-15-6-5-13(12-14(15)21)20-17(18)16-4-3-10-22-16/h3-6,10,12,19H,2,7-9,11H2,1H3,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106699 (CHEMBL1957350 | US8586620, 46) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4O/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 Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description 5-HT1D binding assays (agonist radioligand)were performed using bovine caudate membranes according to the methods of Heuring and Peroutka (J. Neurosc...				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	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 Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description 5-HT1D binding assays (agonist radioligand)were performed using bovine caudate membranes according to the methods of Heuring and Peroutka (J. Neurosc...				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106706 (CHEMBL1957356 | US8586620, 64) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(NC(=S)NC(=O)c3ccccc3)cc12 |c:4| Show InChI InChI=1S/C22H22N4OS/c1-26-11-9-15(10-12-26)19-14-23-20-8-7-17(13-18(19)20)24-22(28)25-21(27)16-5-3-2-4-6-16/h2-9,13-14,23H,10-12H2,1H3,(H2,24,25,27,28)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description 5-HT1D binding assays (agonist radioligand)were performed using bovine caudate membranes according to the methods of Heuring and Peroutka (J. Neurosc...				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description 5-HT1D binding assays (agonist radioligand)were performed using bovine caudate membranes according to the methods of Heuring and Peroutka (J. Neurosc...				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM111482 (US8618286, 8) Show SMILES CNCCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C16H20N4S2/c1-18-6-7-20-8-10-22-15-11-12(4-5-13(15)20)19-16(17)14-3-2-9-21-14/h2-5,9,11,18H,6-8,10H2,1H3,(H2,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50352592 (CHEMBL1825173) Show SMILES CN1CCC[C@@H]1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |r,w:17.19| Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/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	60	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 conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method				Bioorg Med Chem Lett 21: 5301-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.022 BindingDB Entry DOI: 10.7270/Q2FN16KP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50365335 (CHEMBL1955937) Show SMILES NC(=Nc1ccc2CCN(CCNCCO)c2c1)c1cccs1 |w:2.2| 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))	BDBM50352591 (CHEMBL1825172) Show SMILES CN1CCCC1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:17.19| Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(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	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 Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method				Bioorg Med Chem Lett 21: 5301-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.022 BindingDB Entry DOI: 10.7270/Q2FN16KP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50401282 (CHEMBL3216566) Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNC1)c1cccs1 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))	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))	BDBM111484 (US8618286, 10) Show SMILES CNCCN1CCOc2ccc(cc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C16H20N4OS/c1-18-6-7-20-8-9-21-14-5-4-12(11-13(14)20)19-16(17)15-3-2-10-22-15/h2-5,10-11,18H,6-9H2,1H3,(H2,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM111502 (US8618286, 28) Show SMILES CNCCN1CCSc2ccc(cc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C16H20N4S2/c1-18-6-7-20-8-10-22-14-5-4-12(11-13(14)20)19-16(17)15-3-2-9-21-15/h2-5,9,11,18H,6-8,10H2,1H3,(H2,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					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))	BDBM50352590 (CHEMBL1825171) Show SMILES CN1CCCCC1CCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:18.20| Show InChI InChI=1S/C21H26N4S/c1-24-11-3-2-5-18(24)10-13-25-12-9-16-15-17(7-8-19(16)25)23-21(22)20-6-4-14-26-20/h4,6-9,12,14-15,18H,2-3,5,10-11,13H2,1H3,(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	90	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 conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method				Bioorg Med Chem Lett 21: 5301-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.022 BindingDB Entry DOI: 10.7270/Q2FN16KP
					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 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)	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)
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))	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))	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
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM50005835 ((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...) Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description 5-HT1D binding assays (agonist radioligand)were performed using bovine caudate membranes according to the methods of Heuring and Peroutka (J. Neurosc...				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM111503 (US8618286, 29) Show SMILES NC(=Nc1ccc2SCCN(C3CCNCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H22N4S2/c19-18(17-2-1-10-23-17)21-13-3-4-16-15(12-13)22(9-11-24-16)14-5-7-20-8-6-14/h1-4,10,12,14,20H,5-9,11H2,(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					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 SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1 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 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)	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))	BDBM111486 (US8618286, 12) Show SMILES CN(C)CCN1CCSc2cc(ccc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C17H22N4S2/c1-20(2)7-8-21-9-11-23-16-12-13(5-6-14(16)21)19-17(18)15-4-3-10-22-15/h3-6,10,12H,7-9,11H2,1-2H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50352595 (CHEMBL1825176) Show SMILES CN1CCCC(CC1)n1ccc2cc(ccc12)N=C(N)c1cccs1 |w:17.19| Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(9-11-23)24-12-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(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	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 conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method				Bioorg Med Chem Lett 21: 5301-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.022 BindingDB Entry DOI: 10.7270/Q2FN16KP
					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
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106715 (US8586620, 97) Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:16.18| Show InChI InChI=1S/C19H22N4S/c1-23-8-2-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19(20)18-5-3-9-24-18/h3,5-7,9,11-12,15,21H,2,4,8,10H2,1H3,(H2,20,22)/t15-/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description 5-HT1D binding assays (agonist radioligand)were performed using bovine caudate membranes according to the methods of Heuring and Peroutka (J. Neurosc...				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM111501 (US8618286, 27) Show SMILES CN(C)CCN1CCSc2ccc(cc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C17H22N4S2/c1-20(2)7-8-21-9-11-23-15-6-5-13(12-14(15)21)19-17(18)16-4-3-10-22-16/h3-6,10,12H,7-9,11H2,1-2H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each tes...				US Patent US8618286 (2013) BindingDB Entry DOI: 10.7270/Q2C53JH7
					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))	BDBM50352587 (CHEMBL1825167) Show SMILES CCN1CCCC1CNCCCn1ccc2cc(ccc12)N=C(N)c1cccs1 |w:21.23| Show InChI InChI=1S/C23H31N5S/c1-2-27-12-3-6-20(27)17-25-11-5-13-28-14-10-18-16-19(8-9-21(18)28)26-23(24)22-7-4-15-29-22/h4,7-10,14-16,20,25H,2-3,5-6,11-13,17H2,1H3,(H2,24,26)	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 Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method				Bioorg Med Chem Lett 21: 5301-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.022 BindingDB Entry DOI: 10.7270/Q2FN16KP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50394744 (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)	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

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