Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'acquaviva' and Initial = 'r'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50001028 ((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...) Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50062551 (CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572) Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r| Show InChI InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540775 (CHEMBL4646941) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H23N3O4/c24-20(18-8-4-7-17(13-18)15-27-23(25)26)21-19-9-11-22(12-10-19)14-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540776 (CHEMBL4632489) Show SMILES [O-][N+](=O)OCc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C21H25N3O4/c25-21(14-18-7-4-8-19(13-18)16-28-24(26)27)22-20-9-11-23(12-10-20)15-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16H2,(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540777 (CHEMBL4646661) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H23N3O4/c24-20(18-8-6-17(7-9-18)15-27-23(25)26)21-19-10-12-22(13-11-19)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540775 (CHEMBL4646941) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H23N3O4/c24-20(18-8-4-7-17(13-18)15-27-23(25)26)21-19-9-11-22(12-10-19)14-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540767 (CHEMBL4648130) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H27N3O4/c26-22(21-8-4-7-20(16-21)17-29-25(27)28)23-11-14-24-12-9-19(10-13-24)15-18-5-2-1-3-6-18/h1-8,16,19H,9-15,17H2,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540770 (CHEMBL4632866) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H33N3O4/c29-25(24-11-7-10-23(19-24)20-32-28(30)31)26-14-5-2-6-15-27-16-12-22(13-17-27)18-21-8-3-1-4-9-21/h1,3-4,7-11,19,22H,2,5-6,12-18,20H2,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540782 (CHEMBL4640727) Show SMILES Cc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H32N2O/c1-20-9-11-23(12-10-20)24(27)25-15-5-6-16-26-17-13-22(14-18-26)19-21-7-3-2-4-8-21/h2-4,7-12,22H,5-6,13-19H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540768 (CHEMBL4649845) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29N3O4/c27-23(22-9-4-8-21(17-22)18-30-26(28)29)24-12-5-13-25-14-10-20(11-15-25)16-19-6-2-1-3-7-19/h1-4,6-9,17,20H,5,10-16,18H2,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540774 (CHEMBL4634076) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H33N3O4/c29-25(24-11-9-23(10-12-24)20-32-28(30)31)26-15-5-2-6-16-27-17-13-22(14-18-27)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540769 (CHEMBL4647577) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H31N3O4/c28-24(23-10-6-9-22(18-23)19-31-27(29)30)25-13-4-5-14-26-15-11-21(12-16-26)17-20-7-2-1-3-8-20/h1-3,6-10,18,21H,4-5,11-17,19H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540771 (CHEMBL4643104) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H27N3O4/c26-22(21-8-6-20(7-9-21)17-29-25(27)28)23-12-15-24-13-10-19(11-14-24)16-18-4-2-1-3-5-18/h1-9,19H,10-17H2,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540773 (CHEMBL4636822) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H31N3O4/c28-24(23-10-8-22(9-11-23)19-31-27(29)30)25-14-4-5-15-26-16-12-21(13-17-26)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540768 (CHEMBL4649845) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29N3O4/c27-23(22-9-4-8-21(17-22)18-30-26(28)29)24-12-5-13-25-14-10-20(11-15-25)16-19-6-2-1-3-7-19/h1-4,6-9,17,20H,5,10-16,18H2,(H,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540774 (CHEMBL4634076) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H33N3O4/c29-25(24-11-9-23(10-12-24)20-32-28(30)31)26-15-5-2-6-16-27-17-13-22(14-18-27)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540782 (CHEMBL4640727) Show SMILES Cc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H32N2O/c1-20-9-11-23(12-10-20)24(27)25-15-5-6-16-26-17-13-22(14-18-26)19-21-7-3-2-4-8-21/h2-4,7-12,22H,5-6,13-19H2,1H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540770 (CHEMBL4632866) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H33N3O4/c29-25(24-11-7-10-23(19-24)20-32-28(30)31)26-14-5-2-6-15-27-16-12-22(13-17-27)18-21-8-3-1-4-9-21/h1,3-4,7-11,19,22H,2,5-6,12-18,20H2,(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540772 (CHEMBL4644682) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29N3O4/c27-23(22-9-7-21(8-10-22)18-30-26(28)29)24-13-4-14-25-15-11-20(12-16-25)17-19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-18H2,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540769 (CHEMBL4647577) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H31N3O4/c28-24(23-10-6-9-22(18-23)19-31-27(29)30)25-13-4-5-14-26-15-11-21(12-16-26)17-20-7-2-1-3-8-20/h1-3,6-10,18,21H,4-5,11-17,19H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540778 (CHEMBL4647197) Show SMILES [O-][N+](=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H23N3O4/c24-20(14-16-6-8-19(9-7-16)27-23(25)26)21-18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540772 (CHEMBL4644682) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H29N3O4/c27-23(22-9-7-21(8-10-22)18-30-26(28)29)24-13-4-14-25-15-11-20(12-16-25)17-19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-18H2,(H,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540773 (CHEMBL4636822) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H31N3O4/c28-24(23-10-8-22(9-11-23)19-31-27(29)30)25-14-4-5-15-26-16-12-21(13-17-26)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540777 (CHEMBL4646661) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H23N3O4/c24-20(18-8-6-17(7-9-18)15-27-23(25)26)21-19-10-12-22(13-11-19)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540776 (CHEMBL4632489) Show SMILES [O-][N+](=O)OCc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C21H25N3O4/c25-21(14-18-7-4-8-19(13-18)16-28-24(26)27)22-20-9-11-23(12-10-20)15-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16H2,(H,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540767 (CHEMBL4648130) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H27N3O4/c26-22(21-8-4-7-20(16-21)17-29-25(27)28)23-11-14-24-12-9-19(10-13-24)15-18-5-2-1-3-6-18/h1-8,16,19H,9-15,17H2,(H,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540781 (CHEMBL4632707) Show SMILES OCc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H32N2O2/c27-19-22-8-10-23(11-9-22)24(28)25-14-4-5-15-26-16-12-21(13-17-26)18-20-6-2-1-3-7-20/h1-3,6-11,21,27H,4-5,12-19H2,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	711	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50001028 ((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...) Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540778 (CHEMBL4647197) Show SMILES [O-][N+](=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H23N3O4/c24-20(14-16-6-8-19(9-7-16)27-23(25)26)21-18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2,(H,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540781 (CHEMBL4632707) Show SMILES OCc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H32N2O2/c27-19-22-8-10-23(11-9-22)24(28)25-14-4-5-15-26-16-12-21(13-17-26)18-20-6-2-1-3-7-20/h1-3,6-11,21,27H,4-5,12-19H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540771 (CHEMBL4643104) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H27N3O4/c26-22(21-8-6-20(7-9-21)17-29-25(27)28)23-12-15-24-13-10-19(11-14-24)16-18-4-2-1-3-5-18/h1-9,19H,10-17H2,(H,23,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Mus musculus)	BDBM50363625 (CHEMBL1946352) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2ccccc12 Show InChI InChI=1S/C15H11N3O3/c19-15(11-5-7-12(8-6-11)18(20)21)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540779 (CHEMBL4639000) Show SMILES OC(=O)c1ccc(CO[N+]([O-])=O)cc1 Show InChI InChI=1S/C8H7NO5/c10-8(11)7-3-1-6(2-4-7)5-14-9(12)13/h1-4H,5H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540780 (CHEMBL4636837) Show SMILES OCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM197303 (4-Methylbenzoic acid | SAMPL4, O2) Show SMILES Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50540780 (CHEMBL4636837) Show SMILES OCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM197303 (4-Methylbenzoic acid | SAMPL4, O2) Show SMILES Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540779 (CHEMBL4639000) Show SMILES OC(=O)c1ccc(CO[N+]([O-])=O)cc1 Show InChI InChI=1S/C8H7NO5/c10-8(11)7-3-1-6(2-4-7)5-14-9(12)13/h1-4H,5H2,(H,10,11)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020) Article DOI: 10.1021/acsmedchemlett.9b00661 BindingDB Entry DOI: 10.7270/Q2S18612
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50363622 (CHEMBL1529996) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1nnc2ccccc12 Show InChI InChI=1S/C14H10N4O3/c19-14(10-5-7-11(8-6-10)18(20)21)9-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectro...				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50363624 (CHEMBL1946353) Show SMILES Cc1cc2ncn(CC(=O)c3ccc(cc3)[N+]([O-])=O)c2cc1C Show InChI InChI=1S/C17H15N3O3/c1-11-7-15-16(8-12(11)2)19(10-18-15)9-17(21)13-3-5-14(6-4-13)20(22)23/h3-8,10H,9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectro...				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50363620 (CHEMBL1946356) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1nc2ccccc2n1 Show InChI InChI=1S/C14H10N4O3/c19-14(10-5-7-11(8-6-10)18(20)21)9-17-15-12-3-1-2-4-13(12)16-17/h1-8H,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectro...				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50363617 (CHEMBL1946359) Show SMILES CC(C)c1nccn1CC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H15N3O3/c1-10(2)14-15-7-8-16(14)9-13(18)11-3-5-12(6-4-11)17(19)20/h3-8,10H,9H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectro...				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Mus musculus)	BDBM50363630 (CHEMBL1946204) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H17N3O3/c27-21(17-11-13-20(14-12-17)26(28)29)15-25-16-24-22(18-7-3-1-4-8-18)23(25)19-9-5-2-6-10-19/h1-14,16H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Mus musculus)	BDBM50363628 (CHEMBL1946207) Show SMILES Cc1ccnn1CC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H11N3O3/c1-9-6-7-13-14(9)8-12(16)10-2-4-11(5-3-10)15(17)18/h2-7H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Mus musculus)	BDBM50363620 (CHEMBL1946356) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1nc2ccccc2n1 Show InChI InChI=1S/C14H10N4O3/c19-14(10-5-7-11(8-6-10)18(20)21)9-17-15-12-3-1-2-4-13(12)16-17/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50363623 (CHEMBL1946354) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cnc2cccnc12 Show InChI InChI=1S/C14H10N4O3/c19-13(10-3-5-11(6-4-10)18(20)21)8-17-9-16-12-2-1-7-15-14(12)17/h1-7,9H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectro...				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Mus musculus)	BDBM50363622 (CHEMBL1529996) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1nnc2ccccc12 Show InChI InChI=1S/C14H10N4O3/c19-14(10-5-7-11(8-6-10)18(20)21)9-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50363619 (CHEMBL1946357) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Cn1cc2ccccc2n1 Show InChI InChI=1S/C15H11N3O3/c19-15(11-5-7-13(8-6-11)18(20)21)10-17-9-12-3-1-2-4-14(12)16-17/h1-9H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Catania Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectro...				Eur J Med Chem 49: 118-26 (2012) Article DOI: 10.1016/j.ejmech.2012.01.002 BindingDB Entry DOI: 10.7270/Q2416XHC
					More data for this Ligand-Target Pair

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