Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'paneni' and Initial = 'ms'   

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 (RAT)	BDBM50248926 (3-((1-(4-chlorobenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1 Show InChI InChI=1S/C20H21ClN2O2/c21-17-7-5-15(6-8-17)13-22-11-9-16(10-12-22)14-23-18-3-1-2-4-19(18)25-20(23)24/h1-8,16H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50047016 (1-(4-Fluoro-phenyl)-4-[4-hydroxy-4-(3-trifluoromet...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295408 (3-[4-(N-Benzyl-N-methylamino)butyl]benzo[d]oxazol-...) Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1 Show InChI InChI=1S/C19H22N2O2/c1-20(15-16-9-3-2-4-10-16)13-7-8-14-21-17-11-5-6-12-18(17)23-19(21)22/h2-6,9-12H,7-8,13-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248955 (3-((1-(4-methylbenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)cc1 Show InChI InChI=1S/C21H24N2O2/c1-16-6-8-17(9-7-16)14-22-12-10-18(11-13-22)15-23-19-4-2-3-5-20(19)25-21(23)24/h2-9,18H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248905 (3-((1-benzylpiperidin-4-yl)methyl)benzo[d]oxazol-2...) Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	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	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295411 (3-[4-[N-(4-Chlorobenzyl)-N-methylamino]butyl]benzo...) Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C19H21ClN2O2/c1-21(14-15-8-10-16(20)11-9-15)12-4-5-13-22-17-6-2-3-7-18(17)24-19(22)23/h2-3,6-11H,4-5,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295422 (CHEMBL559979 | N-Benzyl-1-(4-chlorobenzyl)piperidi...) Show SMILES Clc1ccc(CN2CCC(CC2)C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C20H23ClN2O/c21-19-8-6-17(7-9-19)15-23-12-10-18(11-13-23)20(24)22-14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) 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:16:15:10.4.3:1| 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+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295414 (3-[3-[N-(4-Methoxybenzyl)-N-methylamino]butyl]benz...) Show SMILES COc1ccc(CN(C)C(C)CCn2c3ccccc3oc2=O)cc1 Show InChI InChI=1S/C20H24N2O3/c1-15(21(2)14-16-8-10-17(24-3)11-9-16)12-13-22-18-6-4-5-7-19(18)25-20(22)23/h4-11,15H,12-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295421 (CHEMBL557297 | N,1-Dibenzylpiperidine-4-carboxamid...) Show SMILES O=C(NCc1ccccc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H24N2O/c23-20(21-15-17-7-3-1-4-8-17)19-11-13-22(14-12-19)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248930 (3-((1-(2-methylbenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Cc1ccccc1CN1CCC(Cn2c3ccccc3oc2=O)CC1 Show InChI InChI=1S/C21H24N2O2/c1-16-6-2-3-7-18(16)15-22-12-10-17(11-13-22)14-23-19-8-4-5-9-20(19)25-21(23)24/h2-9,17H,10-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248956 (3-((1-(2,4-dimethylbenzyl)piperidin-4-yl)methyl)be...) Show SMILES Cc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)c(C)c1 Show InChI InChI=1S/C22H26N2O2/c1-16-7-8-19(17(2)13-16)15-23-11-9-18(10-12-23)14-24-20-5-3-4-6-21(20)26-22(24)25/h3-8,13,18H,9-12,14-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295419 (CHEMBL559782 | N-Phenyl-1-(4-chlorobenzyl)piperidi...) Show SMILES Clc1ccc(CN2CCC(CC2)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C19H21ClN2O/c20-17-8-6-15(7-9-17)14-22-12-10-16(11-13-22)19(23)21-18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295418 (1-Benzyl-N-phenylpiperidine-4-carboxamide | CHEMBL...) Show SMILES O=C(Nc1ccccc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H22N2O/c22-19(20-18-9-5-2-6-10-18)17-11-13-21(14-12-17)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248906 (3-((1-(2-chlorobenzyl)piperidin-4-yl)methyl)benzo[...) Show SMILES Clc1ccccc1CN1CCC(Cn2c3ccccc3oc2=O)CC1 Show InChI InChI=1S/C20H21ClN2O2/c21-17-6-2-1-5-16(17)14-22-11-9-15(10-12-22)13-23-18-7-3-4-8-19(18)25-20(23)24/h1-8,15H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295423 (CHEMBL562510 | N-Benzyl-1-(4-methylbenzyl)piperidi...) Show SMILES Cc1ccc(CN2CCC(CC2)C(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O/c1-17-7-9-19(10-8-17)16-23-13-11-20(12-14-23)21(24)22-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295431 (3-[3-[N-(4-Methoxybenzyl)-N-methylamino]propyl]ben...) Show SMILES COc1ccc(CN(C)CCCn2c3ccccc3oc2=O)cc1 Show InChI InChI=1S/C19H22N2O3/c1-20(14-15-8-10-16(23-2)11-9-15)12-5-13-21-17-6-3-4-7-18(17)24-19(21)22/h3-4,6-11H,5,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295416 (3-[4-(N-Methylamino-N-(4-methylbenzyl)]benzo[d]oxa...) Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C20H24N2O2/c1-16-9-11-17(12-10-16)15-21(2)13-5-6-14-22-18-7-3-4-8-19(18)24-20(22)23/h3-4,7-12H,5-6,13-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295415 (3-[4-(N-Methylamino-N-(3-methylbenzyl)]benzo[d]oxa...) Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1cccc(C)c1 Show InChI InChI=1S/C20H24N2O2/c1-16-8-7-9-17(14-16)15-21(2)12-5-6-13-22-18-10-3-4-11-19(18)24-20(22)23/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295420 (CHEMBL551310 | N-Phenyl-1-(4-methylbenzyl)piperidi...) Show SMILES Cc1ccc(CN2CCC(CC2)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C20H24N2O/c1-16-7-9-17(10-8-16)15-22-13-11-18(12-14-22)20(23)21-19-5-3-2-4-6-19/h2-10,18H,11-15H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM81982 (CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...) Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11| Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295425 (3-[3-(N-Benzyl-N-methylamino)propyl]benzo[d]oxazol...) Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1 Show InChI InChI=1S/C18H20N2O2/c1-19(14-15-8-3-2-4-9-15)12-7-13-20-16-10-5-6-11-17(16)22-18(20)21/h2-6,8-11H,7,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295417 (3-[4-[N-(2,4-Dimethylbenzyl)-N-methylamino]butyl]b...) Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1C Show InChI InChI=1S/C21H26N2O2/c1-16-10-11-18(17(2)14-16)15-22(3)12-6-7-13-23-19-8-4-5-9-20(19)25-21(23)24/h4-5,8-11,14H,6-7,12-13,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	239	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248927 (3-((1-(2,4-dichlorobenzyl)piperidin-4-yl)methyl)be...) Show SMILES Clc1ccc(CN2CCC(Cn3c4ccccc4oc3=O)CC2)c(Cl)c1 Show InChI InChI=1S/C20H20Cl2N2O2/c21-16-6-5-15(17(22)11-16)13-23-9-7-14(8-10-23)12-24-18-3-1-2-4-19(18)26-20(24)25/h1-6,11,14H,7-10,12-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295413 (3-[4-[N-(3-Methoxybenzyl)-N-methylamino]butyl]benz...) Show SMILES COc1cccc(CN(C)CCCCn2c3ccccc3oc2=O)c1 Show InChI InChI=1S/C20H24N2O3/c1-21(15-16-8-7-9-17(14-16)24-2)12-5-6-13-22-18-10-3-4-11-19(18)25-20(22)23/h3-4,7-11,14H,5-6,12-13,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	297	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295410 (3-[4-[N-(3-Chlorobenzyl)-N-methylamino]butyl]benzo...) Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1cccc(Cl)c1 Show InChI InChI=1S/C19H21ClN2O2/c1-21(14-15-7-6-8-16(20)13-15)11-4-5-12-22-17-9-2-3-10-18(17)24-19(22)23/h2-3,6-10,13H,4-5,11-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248958 (3-((1-(biphenyl-4-ylmethyl)piperidin-4-yl)methyl)b...) Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H26N2O2/c29-26-28(24-8-4-5-9-25(24)30-26)19-21-14-16-27(17-15-21)18-20-10-12-23(13-11-20)22-6-2-1-3-7-22/h1-13,21H,14-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	394	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295412 (3-[4-[N-(2-Methoxybenzyl)-N-methylamino]butyl]benz...) Show SMILES COc1ccccc1CN(C)CCCCn1c2ccccc2oc1=O Show InChI InChI=1S/C20H24N2O3/c1-21(15-16-9-3-5-11-18(16)24-2)13-7-8-14-22-17-10-4-6-12-19(17)25-20(22)23/h3-6,9-12H,7-8,13-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	594	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295409 (3-[4-[N-(2-Chlorobenzyl)-N-methylamino]butyl]benzo...) Show SMILES CN(CCCCn1c2ccccc2oc1=O)Cc1ccccc1Cl Show InChI InChI=1S/C19H21ClN2O2/c1-21(14-15-8-2-3-9-16(15)20)12-6-7-13-22-17-10-4-5-11-18(17)24-19(22)23/h2-5,8-11H,6-7,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	843	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295406 (3-[3-[N-Methylamino-N-(4-methylbenzyl)]propyl]benz...) Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C19H22N2O2/c1-15-8-10-16(11-9-15)14-20(2)12-5-13-21-17-6-3-4-7-18(17)23-19(21)22/h3-4,6-11H,5,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	871	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295404 (3-[3-[N-Methylamino-N-(2-methylbenzyl)]propyl]benz...) Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1C Show InChI InChI=1S/C19H22N2O2/c1-15-8-3-4-9-16(15)14-20(2)12-7-13-21-17-10-5-6-11-18(17)23-19(21)22/h3-6,8-11H,7,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	901	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248959 (3-((1-(naphthalen-1-ylmethyl)piperidin-4-yl)methyl...) Show SMILES O=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1 Show InChI InChI=1S/C24H24N2O2/c27-24-26(22-10-3-4-11-23(22)28-24)16-18-12-14-25(15-13-18)17-20-8-5-7-19-6-1-2-9-21(19)20/h1-11,18H,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295428 (3-[3-[N-(4-Chlorobenzyl)-N-methylamino]propyl]benz...) Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C18H19ClN2O2/c1-20(13-14-7-9-15(19)10-8-14)11-4-12-21-16-5-2-3-6-17(16)23-18(21)22/h2-3,5-10H,4,11-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295407 (3-[3-[N-(2,4-Dimethylbenzyl)-N-methylamino]propyl]...) Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccc(C)cc1C Show InChI InChI=1S/C20H24N2O2/c1-15-9-10-17(16(2)13-15)14-21(3)11-6-12-22-18-7-4-5-8-19(18)24-20(22)23/h4-5,7-10,13H,6,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295405 (3-[3-[N-Methylamino-N-(3-methylbenzyl)]propyl]benz...) Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1cccc(C)c1 Show InChI InChI=1S/C19H22N2O2/c1-15-7-5-8-16(13-15)14-20(2)11-6-12-21-17-9-3-4-10-18(17)23-19(21)22/h3-5,7-10,13H,6,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295429 (3-[3-[N-(2-Methoxybenzyl)-N-methylamino]propyl]ben...) Show SMILES COc1ccccc1CN(C)CCCn1c2ccccc2oc1=O Show InChI InChI=1S/C19H22N2O3/c1-20(14-15-8-3-5-10-17(15)23-2)12-7-13-21-16-9-4-6-11-18(16)24-19(21)22/h3-6,8-11H,7,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295426 (3-[3-[N-(2-Chlorobenzyl)-N-methylamino]propyl]benz...) Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccccc1Cl Show InChI InChI=1S/C18H19ClN2O2/c1-20(13-14-7-2-3-8-15(14)19)11-6-12-21-16-9-4-5-10-17(16)23-18(21)22/h2-5,7-10H,6,11-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295427 (3-[3-[N-(3-Chlorobenzyl)-N-methylamino]propyl]benz...) Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1cccc(Cl)c1 Show InChI InChI=1S/C18H19ClN2O2/c1-20(13-14-6-4-7-15(19)12-14)10-5-11-21-16-8-2-3-9-17(16)23-18(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50248957 (3-((1-(2,4,6-trimethylbenzyl)piperidin-4-yl)methyl...) Show SMILES Cc1cc(C)c(CN2CCC(Cn3c4ccccc4oc3=O)CC2)c(C)c1 Show InChI InChI=1S/C23H28N2O2/c1-16-12-17(2)20(18(3)13-16)15-24-10-8-19(9-11-24)14-25-21-6-4-5-7-22(21)27-23(25)26/h4-7,12-13,19H,8-11,14-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50295430 (3-[3-[N-(3-Methoxybenzyl)-N-methylamino]propyl]ben...) Show SMILES COc1cccc(CN(C)CCCn2c3ccccc3oc2=O)c1 Show InChI InChI=1S/C19H22N2O3/c1-20(14-15-7-5-8-16(13-15)23-2)11-6-12-21-17-9-3-4-10-18(17)24-19(21)22/h3-5,7-10,13H,6,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting				J Med Chem 52: 5380-93 (2009) Article DOI: 10.1021/jm900366z BindingDB Entry DOI: 10.7270/Q2ZP4712
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50174479 ((Z)-2-Hydroxy-4-oxo-4-[3-(2,4,5-trichloro-benzenes...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 Show InChI InChI=1S/C16H10Cl3NO6S/c17-10-5-12(19)15(6-11(10)18)27(25,26)20-9-3-1-2-8(4-9)13(21)7-14(22)16(23)24/h1-6,20H,7H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50174500 ((Z)-4-[3-(4,5-Dichloro-2-cyano-benzyloxy)-phenyl]-...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cc(Cl)c(Cl)cc2C#N)c1 Show InChI InChI=1S/C18H11Cl2NO5/c19-14-5-11(8-21)12(6-15(14)20)9-26-13-3-1-2-10(4-13)16(22)7-17(23)18(24)25/h1-6H,7,9H2,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50174471 ((Z)-4-[3-(2-Chloro-6-cyano-benzyloxy)-5-hydroxy-ph...) Show SMILES OC(=O)C(=O)CC(=O)c1cc(O)cc(OCc2c(Cl)cccc2C#N)c1 Show InChI InChI=1S/C18H12ClNO6/c19-15-3-1-2-10(8-20)14(15)9-26-13-5-11(4-12(21)6-13)16(22)7-17(23)18(24)25/h1-6,21H,7,9H2,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50137862 ((Z)-4-[3-(5-Bromo-2-cyano-benzyloxy)-phenyl]-2-hyd...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cc(Br)ccc2C#N)c1 Show InChI InChI=1S/C18H12BrNO5/c19-14-5-4-12(9-20)13(6-14)10-25-15-3-1-2-11(7-15)16(21)8-17(22)18(23)24/h1-7H,8,10H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50174459 ((Z)-4-[2-(3-Cyano-propoxy)-5-hydroxy-phenyl]-2-hyd...) Show SMILES OC(=O)C(=O)CC(=O)c1cc(O)ccc1OCCCC#N Show InChI InChI=1S/C14H13NO6/c15-5-1-2-6-21-13-4-3-9(16)7-10(13)11(17)8-12(18)14(19)20/h3-4,7,16H,1-2,6,8H2,(H,19,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50174476 ((Z)-4-[3-(3,5-Dichloro-benzenesulfonylamino)-pheny...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C16H11Cl2NO6S/c17-10-5-11(18)7-13(6-10)26(24,25)19-12-3-1-2-9(4-12)14(20)8-15(21)16(22)23/h1-7,19H,8H2,(H,22,23)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50137875 (4-[2-(3-Cyano-propoxy)-phenyl]-2,4-dioxo-butyric a...) Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1OCCCC#N Show InChI InChI=1S/C14H13NO5/c15-7-3-4-8-20-13-6-2-1-5-10(13)11(16)9-12(17)14(18)19/h1-2,5-6H,3-4,8-9H2,(H,18,19)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50174502 ((Z)-2-Hydroxy-4-[3-(naphthalen-1-ylmethoxy)-phenyl...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2cccc3ccccc23)c1 Show InChI InChI=1S/C21H16O5/c22-19(12-20(23)21(24)25)15-7-4-9-17(11-15)26-13-16-8-3-6-14-5-1-2-10-18(14)16/h1-11H,12-13H2,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50174477 (3-[3-((Z)-3-Carboxy-3-hydroxy-acryloyl)-phenoxymet...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(OCc2ccsc2C(O)=O)c1 Show InChI InChI=1S/C16H12O7S/c17-12(7-13(18)15(19)20)9-2-1-3-11(6-9)23-8-10-4-5-24-14(10)16(21)22/h1-6H,7-8H2,(H,19,20)(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair

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