Compile Data Set for Download or QSAR

Found 918 hits with Last Name = 'maddaford' and Initial = 's'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386386 (CHEMBL2046871) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H28N4O3/c1-3-30-20-9-6-17(7-10-20)15-23-24-21-16-19(27(28)29)8-11-22(21)26(23)14-12-18-5-4-13-25(18)2/h6-11,16,18H,3-5,12-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136466 (CHEMBL343492 | Dimethyl-[2-(6-pyridin-3-yl-indol-1...) Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1cccnc1 Show InChI InChI=1S/C17H19N3/c1-19(2)10-11-20-9-7-14-5-6-15(12-17(14)20)16-4-3-8-18-13-16/h3-9,12-13H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					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 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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136469 (4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCSCC1 Show InChI InChI=1S/C17H24N2OS/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136462 (4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCOCC1 Show InChI InChI=1S/C17H24N2O2/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136465 (CHEMBL343105 | Dimethyl-{2-[6-(tetrahydro-pyran-4-...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1CCOCC1 Show InChI InChI=1S/C17H24N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136471 ((S)-1-{2-[4-(4-Carbamoyl-phenyl)-piperazin-1-yl]-e...) Show SMILES CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(cc3)C(N)=O)OCCc2c1 Show InChI InChI=1S/C24H30N4O3/c1-26-24(30)19-4-7-21-18(16-19)9-15-31-22(21)8-10-27-11-13-28(14-12-27)20-5-2-17(3-6-20)23(25)29/h2-7,16,22H,8-15H2,1H3,(H2,25,29)(H,26,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386382 (CHEMBL2046872) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2cccs2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5OS/c1-4-31(5-2)15-16-32-24-14-11-21(29-27(28)25-8-7-17-34-25)19-23(24)30-26(32)18-20-9-12-22(13-10-20)33-6-3/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H2,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136464 (CHEMBL138873 | Dimethyl-{2-[6-(tetrahydro-thiopyra...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1CCSCC1 Show InChI InChI=1S/C17H24N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136468 (CHEMBL138821 | Dimethyl-[2-(6-thiophen-3-yl-indol-...) Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1ccsc1 Show InChI InChI=1S/C16H18N2S/c1-17(2)8-9-18-7-5-13-3-4-14(11-16(13)18)15-6-10-19-12-15/h3-7,10-12H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386379 (CHEMBL2048416) Show SMILES CCOc1ccc(Cc2nc3cc(NC(N)=N[N+]([O-])=O)ccc3n2CCN(CC)CC)cc1 |w:16.16| Show InChI InChI=1S/C23H31N7O3/c1-4-28(5-2)13-14-29-21-12-9-18(25-23(24)27-30(31)32)16-20(21)26-22(29)15-17-7-10-19(11-8-17)33-6-3/h7-12,16H,4-6,13-15H2,1-3H3,(H3,24,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386380 (CHEMBL2048417) Show SMILES CCOc1ccc(Cc2nc3ccc(cc3n2CCN(CC)CC)N=C(N)c2cccs2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5OS/c1-4-31(5-2)15-16-32-24-19-21(29-27(28)25-8-7-17-34-25)11-14-23(24)30-26(32)18-20-9-12-22(13-10-20)33-6-3/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H2,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386388 (CHEMBL2046877) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccsc2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5OS/c1-4-31(5-2)14-15-32-25-12-9-22(29-27(28)21-13-16-34-19-21)18-24(25)30-26(32)17-20-7-10-23(11-8-20)33-6-3/h7-13,16,18-19H,4-6,14-15,17H2,1-3H3,(H2,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136467 (CHEMBL343712 | {2-[6-(3,6-Dihydro-2H-thiopyran-4-y...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1=CCSCC1 |t:16| Show InChI InChI=1S/C17H22N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386385 (CHEMBL2046876) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccco2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5O2/c1-4-31(5-2)15-16-32-24-14-11-21(29-27(28)25-8-7-17-34-25)19-23(24)30-26(32)18-20-9-12-22(13-10-20)33-6-3/h7-14,17,19H,4-6,15-16,18H2,1-3H3,(H2,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136463 (CHEMBL138462 | {2-[6-(3,6-Dihydro-2H-pyran-4-yl)-i...) Show SMILES CN(C)CCn1ccc2ccc(cc12)C1=CCOCC1 |t:16| Show InChI InChI=1S/C17H22N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386377 (CHEMBL2046878) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccoc2)cc1 |w:24.25| Show InChI InChI=1S/C27H33N5O2/c1-4-31(5-2)14-15-32-25-12-9-22(29-27(28)21-13-16-33-19-21)18-24(25)30-26(32)17-20-7-10-23(11-8-20)34-6-3/h7-13,16,18-19H,4-6,14-15,17H2,1-3H3,(H2,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386378 (CHEMBL2048415) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(C)N)cc1 |w:24.25| Show InChI InChI=1S/C24H33N5O/c1-5-28(6-2)14-15-29-23-13-10-20(26-18(4)25)17-22(23)27-24(29)16-19-8-11-21(12-9-19)30-7-3/h8-13,17H,5-7,14-16H2,1-4H3,(H2,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50136470 (CHEMBL139438 | Dimethyl-[2-(6-naphthalen-2-yl-indo...) Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H22N2/c1-23(2)13-14-24-12-11-18-8-10-21(16-22(18)24)20-9-7-17-5-3-4-6-19(17)15-20/h3-12,15-16H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)				Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386383 (CHEMBL2046873) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)N=C(N)c2cccs2)cc1 |w:22.23| Show InChI InChI=1S/C25H29N5OS/c1-4-31-20-10-7-18(8-11-20)16-24-28-21-17-19(27-25(26)23-6-5-15-32-23)9-12-22(21)30(24)14-13-29(2)3/h5-12,15,17H,4,13-14,16H2,1-3H3,(H2,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386381 (Nucynta | TAPENTADOL HYDROCHLORIDE | Tapentadol) Show SMILES CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1 Show InChI InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	DrugBank Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386384 (CHEMBL2046874) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC2CCCN2C)N=C(N)c2cccs2)cc1 |w:25.27| Show InChI InChI=1S/C28H33N5OS/c1-3-34-23-11-8-20(9-12-23)18-27-31-24-19-21(30-28(29)26-7-5-17-35-26)10-13-25(24)33(27)16-14-22-6-4-15-32(22)2/h5,7-13,17,19,22H,3-4,6,14-16,18H2,1-2H3,(H2,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50386387 (CHEMBL2046875) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C2CCN(C)CC2)N=C(N)c2cccs2)cc1 |w:24.26| Show InChI InChI=1S/C27H31N5OS/c1-3-33-22-9-6-19(7-10-22)17-26-30-23-18-20(29-27(28)25-5-4-16-34-25)8-11-24(23)32(26)21-12-14-31(2)15-13-21/h4-11,16,18,21H,3,12-15,17H2,1-2H3,(H2,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					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 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, inducible (Homo sapiens (Human))	BDBM50230993 ((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...) Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB NCI pathway 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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ...				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
					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 (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
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
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))	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))	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))	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))	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))	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 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))	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))	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 (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

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