Compile Data Set for Download or QSAR

Found 134 hits Enz. Inhib. hit(s) with all data for entry = 6054   

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
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
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
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
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
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	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))	BDBM106737 (CHEMBL1823366 | US8586620, 139) Show SMILES CN1CCC[C@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19| Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106735 (US8586620, 137) Show SMILES CN1CCCC1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19,6.6| Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106701 (CHEMBL1957352 | US8586620, 51) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:15.15,c:4| Show InChI InChI=1S/C20H22N4S/c1-24-8-6-15(7-9-24)17-13-22-18-5-4-14(11-16(17)18)12-23-20(21)19-3-2-10-25-19/h2-6,10-11,13,22H,7-9,12H2,1H3,(H2,21,23)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	220	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))	BDBM106746 (CHEMBL1823375 | US8586620, 168) Show SMILES CN(C)CCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H24N4S/c1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106700 (CHEMBL1957354 | US8586620, 47) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18| Show InChI InChI=1S/C19H22N4O/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/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	280	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 receptor 1B (Rattus norvegicus (Rat))	BDBM106717 (US8586620, 105) 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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	290	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))	BDBM106704 (US8586620, 59) Show SMILES CN(C)CCc1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:13.12| Show InChI InChI=1S/C18H22N4S/c1-22(2)8-7-14-12-20-16-6-5-13(10-15(14)16)11-21-18(19)17-4-3-9-23-17/h3-6,9-10,12,20H,7-8,11H2,1-2H3,(H2,19,21)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	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 receptor 1B (Rattus norvegicus (Rat))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	310	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))	BDBM106736 (CHEMBL1823365 | US8586620, 138) Show SMILES CN1CCC[C@@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19| Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(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	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106720 (US8586620, 110) Show SMILES CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.17| Show InChI InChI=1S/C18H20N4S/c1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(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 Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	350	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))	BDBM106696 (US8586620, 56) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C17H20N4S/c1-21(2)8-7-12-11-19-15-6-5-13(10-14(12)15)20-17(18)16-4-3-9-22-16/h3-6,9-11,19H,7-8H2,1-2H3,(H2,18,20)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	360	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))	BDBM106703 (US8586620, 15) Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C18H22N4S/c1-22(2)9-3-5-13-12-20-16-8-7-14(11-15(13)16)21-18(19)17-6-4-10-23-17/h4,6-8,10-12,20H,3,5,9H2,1-2H3,(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	410	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106720 (US8586620, 110) Show SMILES CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.17| Show InChI InChI=1S/C18H20N4S/c1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(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	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106712 (US8586620, 84) Show SMILES CNC1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19,(6.85,4.57,;5.37,4.17,;4.97,2.68,;6.06,1.59,;5.66,.1,;4.17,-.29,;3.08,.8,;3.48,2.28,;3.77,-1.78,;4.68,-3.03,;3.77,-4.27,;2.31,-3.8,;.97,-4.57,;-.36,-3.8,;-.36,-2.26,;.97,-1.49,;2.31,-2.26,;-1.69,-1.49,;-3.03,-2.26,;-3.03,-3.8,;-4.36,-1.49,;-4.84,-.02,;-6.38,-.02,;-6.85,-1.49,;-5.61,-2.39,)| Show InChI InChI=1S/C20H24N4S/c1-22-14-6-4-13(5-7-14)17-12-23-18-9-8-15(11-16(17)18)24-20(21)19-3-2-10-25-19/h2-3,8-14,22-23H,4-7H2,1H3,(H2,21,24)	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	490	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM106720 (US8586620, 110) Show SMILES CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.17| Show InChI InChI=1S/C18H20N4S/c1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	490	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))	BDBM106734 (CHEMBL1823363 | US8586620, 136) Show SMILES NC(=Nc1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H24N4S/c21-20(19-5-4-14-25-19)22-17-7-6-16-8-11-24(18(16)15-17)13-12-23-9-2-1-3-10-23/h4-8,11,14-15H,1-3,9-10,12-13H2,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106721 (US8586620, 111) Show SMILES CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:15.17| Show InChI InChI=1S/C18H20N4O/c1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(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 Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	560	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))	BDBM106697 (CHEMBL1957353 | US8586620, 43) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18| Show InChI InChI=1S/C19H22N4S/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/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	570	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))	BDBM106740 (CHEMBL1823369 | US8586620, 158) Show SMILES CCN(CC)CCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.18| Show InChI InChI=1S/C20H26N4S/c1-3-23(4-2)11-6-12-24-13-10-16-8-9-17(15-18(16)24)22-20(21)19-7-5-14-25-19/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106705 (US8586620, 62) Show SMILES CCN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19| Show InChI InChI=1S/C20H24N4S/c1-2-24-9-7-14(8-10-24)17-13-22-18-6-5-15(12-16(17)18)23-20(21)19-4-3-11-25-19/h3-6,11-14,22H,2,7-10H2,1H3,(H2,21,23)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	680	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))	BDBM106724 (US8586620, 121) Show SMILES CCNC1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:18.20,(8.01,4.73,;7.24,3.39,;5.7,3.39,;4.93,2.06,;5.7,.73,;4.93,-.61,;3.39,-.61,;2.62,.73,;3.39,2.06,;2.62,-1.94,;3.52,-3.19,;2.62,-4.43,;1.15,-3.96,;-.18,-4.73,;-1.51,-3.96,;-1.51,-2.42,;-.18,-1.65,;1.15,-2.42,;-2.85,-1.65,;-4.18,-2.42,;-4.18,-3.96,;-5.52,-1.65,;-5.99,-.18,;-7.53,-.18,;-8.01,-1.65,;-6.76,-2.55,)| Show InChI InChI=1S/C21H26N4S/c1-2-23-15-7-5-14(6-8-15)18-13-24-19-10-9-16(12-17(18)19)25-21(22)20-4-3-11-26-20/h3-4,9-15,23-24H,2,5-8H2,1H3,(H2,22,25)	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	700	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106739 (CHEMBL1823371 | US8586620, 157) Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H24N4OS/c21-20(19-3-1-14-26-19)22-17-5-4-16-6-9-24(18(16)15-17)8-2-7-23-10-12-25-13-11-23/h1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106711 (US8586620, 77) Show SMILES NC(=Nc1ccc2[nH]cc(C3CCN(CC3)C(=N)c3cccs3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C23H23N5S2/c24-22(20-3-1-11-29-20)27-16-5-6-19-17(13-16)18(14-26-19)15-7-9-28(10-8-15)23(25)21-4-2-12-30-21/h1-6,11-15,25-26H,7-10H2,(H2,24,27)	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	717	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106717 (US8586620, 105) 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-/m0/s1	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	820	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (Bos taurus (Bovine))	BDBM106703 (US8586620, 15) Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.16| Show InChI InChI=1S/C18H22N4S/c1-22(2)9-3-5-13-12-20-16-8-7-14(11-15(13)16)21-18(19)17-6-4-10-23-17/h4,6-8,10-12,20H,3,5,9H2,1-2H3,(H2,19,21)	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	870	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))	BDBM106738 (CHEMBL1823367 | US8586620, 156) Show SMILES CN1CCCC(CC1)n1ccc2ccc(cc12)N=C(N)c1cccs1 |w:17.19| Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(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	US Patent	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					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	US Patent	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106725 (US8586620, 125) Show SMILES NC(=Nc1ccc2[nH]cc(C3=CN4CCC3CC4)c2c1)c1cccs1 |w:2.2,t:10,THB:9:10:13.14:17.16,(-3.88,-2.81,;-3.88,-1.27,;-2.55,-.5,;-1.21,-1.27,;-1.21,-2.81,;.12,-3.58,;1.45,-2.81,;2.92,-3.28,;3.82,-2.04,;2.92,-.79,;3.69,.54,;4.78,1.65,;6.55,1.92,;6.99,3.58,;5.86,2.7,;5.34,.76,;6.47,-.16,;7.58,.9,;1.45,-1.27,;.12,-.5,;-5.21,-.5,;-5.21,1.04,;-6.68,1.52,;-7.58,.27,;-6.68,-.97,)| Show InChI InChI=1S/C20H20N4S/c21-20(19-2-1-9-25-19)23-14-3-4-18-15(10-14)16(11-22-18)17-12-24-7-5-13(17)6-8-24/h1-4,9-13,22H,5-8H2,(H2,21,23)	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	970	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106749 (CHEMBL1823378 | US8586620, 184) Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccoc1 |w:2.2| Show InChI InChI=1S/C20H24N4O2/c21-20(17-5-11-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-12-25-13-10-23/h2-5,8,11,14-15H,1,6-7,9-10,12-13H2,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106726 (US8586620, 126) Show SMILES NC(=Nc1ccc2[nH]cc(C3CN4CCC3CC4)c2c1)c1cccs1 |w:2.2,THB:9:10:13.14:17.16,(-3.88,-2.81,;-3.88,-1.27,;-2.55,-.5,;-1.21,-1.27,;-1.21,-2.81,;.12,-3.58,;1.45,-2.81,;2.92,-3.28,;3.82,-2.04,;2.92,-.79,;3.69,.54,;4.78,1.65,;6.55,1.92,;6.99,3.58,;5.86,2.7,;5.34,.76,;6.47,-.16,;7.58,.9,;1.45,-1.27,;.12,-.5,;-5.21,-.5,;-5.21,1.04,;-6.68,1.52,;-7.58,.27,;-6.68,-.97,)| Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-18-15(10-14)16(11-22-18)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)	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	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Rattus norvegicus (Rat))	BDBM106721 (US8586620, 111) Show SMILES CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:15.17| Show InChI InChI=1S/C18H20N4O/c1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	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))	BDBM106717 (US8586620, 105) 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-/m0/s1	PDB Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	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))	BDBM106701 (CHEMBL1957352 | US8586620, 51) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:15.15,c:4| Show InChI InChI=1S/C20H22N4S/c1-24-8-6-15(7-9-24)17-13-22-18-5-4-14(11-16(17)18)12-23-20(21)19-3-2-10-25-19/h2-6,10-11,13,22H,7-9,12H2,1H3,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106732 (CHEMBL1823362 | US8586620, 66) Show SMILES CN(C)CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C17H20N4S/c1-20(2)9-10-21-8-7-13-5-6-14(12-15(13)21)19-17(18)16-4-3-11-22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106745 (CHEMBL1823376 | US8586620, 167) Show SMILES NC(=Nc1ccc2ccn(CCCCn3ccnc3)c2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H21N5S/c21-20(19-4-3-13-26-19)23-17-6-5-16-7-11-25(18(16)14-17)10-2-1-9-24-12-8-22-15-24/h3-8,11-15H,1-2,9-10H2,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106721 (US8586620, 111) Show SMILES CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:15.17| Show InChI InChI=1S/C18H20N4O/c1-22-7-6-12(11-22)15-10-20-16-5-4-13(9-14(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	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106747 (CHEMBL1823377 | US8586620, 182) Show SMILES NC(=Nc1ccc2ccn(CCCN3CCOCC3)c2c1)c1ccsc1 |w:2.2| Show InChI InChI=1S/C20H24N4OS/c21-20(17-5-13-26-15-17)22-18-3-2-16-4-8-24(19(16)14-18)7-1-6-23-9-11-25-12-10-23/h2-5,8,13-15H,1,6-7,9-12H2,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106716 (CHEMBL2036265 | US8586620, 100) Show SMILES CNC1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19,c:5| Show InChI InChI=1S/C20H22N4S/c1-22-14-6-4-13(5-7-14)17-12-23-18-9-8-15(11-16(17)18)24-20(21)19-3-2-10-25-19/h2-4,8-12,14,22-23H,5-7H2,1H3,(H2,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106743 (CHEMBL1823373 | US8586620, 161) Show SMILES CNCCCn1ccc2ccc(cc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C17H20N4S/c1-19-8-3-9-21-10-7-13-5-6-14(12-15(13)21)20-17(18)16-4-2-11-22-16/h2,4-7,10-12,19H,3,8-9H2,1H3,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106697 (CHEMBL1957353 | US8586620, 43) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18| Show InChI InChI=1S/C19H22N4S/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/h2-5,10-13,21H,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	US Patent	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair

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