Compile Data Set for Download or QSAR

Found 101 hits Enz. Inhib. hit(s) with all data for entry = 50037744   

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))	BDBM50188855 (1-phenyl-8-(1-phenyl-cyclohexyl)-1,3,8-triaza-spir...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-23-25(28(20-26-23)22-12-6-2-7-13-22)16-18-27(19-17-25)24(14-8-3-9-15-24)21-10-4-1-5-11-21/h1-2,4-7,10-13H,3,8-9,14-20H2,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188855 (1-phenyl-8-(1-phenyl-cyclohexyl)-1,3,8-triaza-spir...) Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-23-25(28(20-26-23)22-12-6-2-7-13-22)16-18-27(19-17-25)24(14-8-3-9-15-24)21-10-4-1-5-11-21/h1-2,4-7,10-13H,3,8-9,14-20H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50188849 (4-(4-fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohe...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31)	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188843 (8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...) Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188843 (8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...) Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188843 (8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...) Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188879 (CHEMBL214057 | rac-8-[1-(4-fluoro-phenyl)-cyclohex...) Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C23H33FN2O/c1-2-6-19-17-25-21(27)22(19)13-15-26(16-14-22)23(11-4-3-5-12-23)18-7-9-20(24)10-8-18/h7-10,19H,2-6,11-17H2,1H3,(H,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	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188859 (CHEMBL378665 | rac-4-(4-fluoro-phenyl)-8-(1-o-toly...) Show SMILES Cc1ccccc1C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188844 (4-phenyl-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4...) Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C26H32N2O/c29-24-25(23(20-27-24)21-10-4-1-5-11-21)16-18-28(19-17-25)26(14-8-3-9-15-26)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188844 (4-phenyl-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4...) Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C26H32N2O/c29-24-25(23(20-27-24)21-10-4-1-5-11-21)16-18-28(19-17-25)26(14-8-3-9-15-26)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188863 (CHEMBL436752 | rac-4-(4-fluoro-phenyl)-8-[1-(3-flu...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1cccc(F)c1 Show InChI InChI=1S/C26H30F2N2O/c27-21-9-7-19(8-10-21)23-18-29-24(31)25(23)13-15-30(16-14-25)26(11-2-1-3-12-26)20-5-4-6-22(28)17-20/h4-10,17,23H,1-3,11-16,18H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188844 (4-phenyl-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4...) Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C26H32N2O/c29-24-25(23(20-27-24)21-10-4-1-5-11-21)16-18-28(19-17-25)26(14-8-3-9-15-26)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188844 (4-phenyl-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4...) Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C26H32N2O/c29-24-25(23(20-27-24)21-10-4-1-5-11-21)16-18-28(19-17-25)26(14-8-3-9-15-26)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188849 (4-(4-fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohe...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188845 (4-(4-fluoro-phenyl)-8-(1-m-tolyl-cyclohexyl)-2,8-d...) Show SMILES Cc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188845 (4-(4-fluoro-phenyl)-8-(1-m-tolyl-cyclohexyl)-2,8-d...) Show SMILES Cc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188857 (8-[1-(3-fluoro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Fc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31FN2O/c27-22-11-7-10-21(18-22)26(12-5-2-6-13-26)29-16-14-25(15-17-29)23(19-28-24(25)30)20-8-3-1-4-9-20/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188857 (8-[1-(3-fluoro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Fc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31FN2O/c27-22-11-7-10-21(18-22)26(12-5-2-6-13-26)29-16-14-25(15-17-29)23(19-28-24(25)30)20-8-3-1-4-9-20/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188861 (4-phenyl-8-(1-p-tolyl-cyclohexyl)-2,8-diaza-spiro[...) Show SMILES Cc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C27H34N2O/c1-21-10-12-23(13-11-21)27(14-6-3-7-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-8-4-2-5-9-22/h2,4-5,8-13,24H,3,6-7,14-20H2,1H3,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188861 (4-phenyl-8-(1-p-tolyl-cyclohexyl)-2,8-diaza-spiro[...) Show SMILES Cc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C27H34N2O/c1-21-10-12-23(13-11-21)27(14-6-3-7-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-8-4-2-5-9-22/h2,4-5,8-13,24H,3,6-7,14-20H2,1H3,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188863 (CHEMBL436752 | rac-4-(4-fluoro-phenyl)-8-[1-(3-flu...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1cccc(F)c1 Show InChI InChI=1S/C26H30F2N2O/c27-21-9-7-19(8-10-21)23-18-29-24(31)25(23)13-15-30(16-14-25)26(11-2-1-3-12-26)20-5-4-6-22(28)17-20/h4-10,17,23H,1-3,11-16,18H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188856 (8-[1-(4-chloro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Clc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31ClN2O/c27-22-11-9-21(10-12-22)26(13-5-2-6-14-26)29-17-15-25(16-18-29)23(19-28-24(25)30)20-7-3-1-4-8-20/h1,3-4,7-12,23H,2,5-6,13-19H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188845 (4-(4-fluoro-phenyl)-8-(1-m-tolyl-cyclohexyl)-2,8-d...) Show SMILES Cc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188849 (4-(4-fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohe...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188849 (4-(4-fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohe...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188849 (4-(4-fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohe...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188861 (4-phenyl-8-(1-p-tolyl-cyclohexyl)-2,8-diaza-spiro[...) Show SMILES Cc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C27H34N2O/c1-21-10-12-23(13-11-21)27(14-6-3-7-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-8-4-2-5-9-22/h2,4-5,8-13,24H,3,6-7,14-20H2,1H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188857 (8-[1-(3-fluoro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Fc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31FN2O/c27-22-11-7-10-21(18-22)26(12-5-2-6-13-26)29-16-14-25(15-17-29)23(19-28-24(25)30)20-8-3-1-4-9-20/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188856 (8-[1-(4-chloro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Clc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31ClN2O/c27-22-11-9-21(10-12-22)26(13-5-2-6-14-26)29-17-15-25(16-18-29)23(19-28-24(25)30)20-7-3-1-4-8-20/h1,3-4,7-12,23H,2,5-6,13-19H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188845 (4-(4-fluoro-phenyl)-8-(1-m-tolyl-cyclohexyl)-2,8-d...) Show SMILES Cc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188861 (4-phenyl-8-(1-p-tolyl-cyclohexyl)-2,8-diaza-spiro[...) Show SMILES Cc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C27H34N2O/c1-21-10-12-23(13-11-21)27(14-6-3-7-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-8-4-2-5-9-22/h2,4-5,8-13,24H,3,6-7,14-20H2,1H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188857 (8-[1-(3-fluoro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Fc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31FN2O/c27-22-11-7-10-21(18-22)26(12-5-2-6-13-26)29-16-14-25(15-17-29)23(19-28-24(25)30)20-8-3-1-4-9-20/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50188859 (CHEMBL378665 | rac-4-(4-fluoro-phenyl)-8-(1-o-toly...) Show SMILES Cc1ccccc1C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50188867 (4-phenyl-8-(3-phenyl-tetrahydro-pyran-3-yl)-2,8-di...) Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCOC1)c1ccccc1 Show InChI InChI=1S/C25H30N2O2/c28-23-24(22(18-26-23)20-8-3-1-4-9-20)13-15-27(16-14-24)25(12-7-17-29-19-25)21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50188870 (4-phenyl-8-(4-phenyl-tetrahydro-pyran-4-yl)-2,8-di...) Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCOCC1)c1ccccc1 Show InChI InChI=1S/C25H30N2O2/c28-23-24(22(19-26-23)20-7-3-1-4-8-20)11-15-27(16-12-24)25(13-17-29-18-14-25)21-9-5-2-6-10-21/h1-10,22H,11-19H2,(H,26,28)	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	>1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188856 (8-[1-(4-chloro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Clc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31ClN2O/c27-22-11-9-21(10-12-22)26(13-5-2-6-14-26)29-17-15-25(16-18-29)23(19-28-24(25)30)20-7-3-1-4-8-20/h1,3-4,7-12,23H,2,5-6,13-19H2,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50188856 (8-[1-(4-chloro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Clc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31ClN2O/c27-22-11-9-21(10-12-22)26(13-5-2-6-14-26)29-17-15-25(16-18-29)23(19-28-24(25)30)20-7-3-1-4-8-20/h1,3-4,7-12,23H,2,5-6,13-19H2,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50188868 (4-[1-(1-oxo-4-phenyl-2,8-diaza-spiro[4.5]dec-8-yl)...) Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccc(cc1)C#N Show InChI InChI=1S/C27H31N3O/c28-19-21-9-11-23(12-10-21)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(20-29-25(26)31)22-7-3-1-4-8-22/h1,3-4,7-12,24H,2,5-6,13-18,20H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT1				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50188844 (4-phenyl-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4...) Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C26H32N2O/c29-24-25(23(20-27-24)21-10-4-1-5-11-21)16-18-28(19-17-25)26(14-8-3-9-15-26)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT2				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50188857 (8-[1-(3-fluoro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Fc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31FN2O/c27-22-11-7-10-21(18-22)26(12-5-2-6-13-26)29-16-14-25(15-17-29)23(19-28-24(25)30)20-8-3-1-4-9-20/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT2				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50188861 (4-phenyl-8-(1-p-tolyl-cyclohexyl)-2,8-diaza-spiro[...) Show SMILES Cc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C27H34N2O/c1-21-10-12-23(13-11-21)27(14-6-3-7-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-8-4-2-5-9-22/h2,4-5,8-13,24H,3,6-7,14-20H2,1H3,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT2				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50188859 (CHEMBL378665 | rac-4-(4-fluoro-phenyl)-8-(1-o-toly...) Show SMILES Cc1ccccc1C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT2				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50188843 (8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...) Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT1				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50188857 (8-[1-(3-fluoro-phenyl)-cyclohexyl]-4-phenyl-2,8-di...) Show SMILES Fc1cccc(c1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H31FN2O/c27-22-11-7-10-21(18-22)26(12-5-2-6-13-26)29-16-14-25(15-17-29)23(19-28-24(25)30)20-8-3-1-4-9-20/h1,3-4,7-11,18,23H,2,5-6,12-17,19H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	423	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT1				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50188861 (4-phenyl-8-(1-p-tolyl-cyclohexyl)-2,8-diaza-spiro[...) Show SMILES Cc1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C27H34N2O/c1-21-10-12-23(13-11-21)27(14-6-3-7-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-8-4-2-5-9-22/h2,4-5,8-13,24H,3,6-7,14-20H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	284	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT1				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50188858 (4-(4-fluoro-phenyl)-8-(1-thiophen-3-yl-cyclohexyl)...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccsc1 Show InChI InChI=1S/C24H29FN2OS/c25-20-6-4-18(5-7-20)21-16-26-22(28)23(21)11-13-27(14-12-23)24(9-2-1-3-10-24)19-8-15-29-17-19/h4-8,15,17,21H,1-3,9-14,16H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	213	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT1				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50188849 (4-(4-fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohe...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT2				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50188849 (4-(4-fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohe...) Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT1				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50188844 (4-phenyl-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4...) Show SMILES O=C1NCC(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C26H32N2O/c29-24-25(23(20-27-24)21-10-4-1-5-11-21)16-18-28(19-17-25)26(14-8-3-9-15-26)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	107	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT1				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50188846 (4-phenyl-8-[1-(4-trifluoromethyl-phenyl)-cyclohexy...) Show SMILES FC(F)(F)c1ccc(cc1)C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccccc1 Show InChI InChI=1S/C27H31F3N2O/c28-27(29,30)22-11-9-21(10-12-22)26(13-5-2-6-14-26)32-17-15-25(16-18-32)23(19-31-24(25)33)20-7-3-1-4-8-20/h1,3-4,7-12,23H,2,5-6,13-19H2,(H,31,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at GlyT1				Bioorg Med Chem Lett 16: 4321-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG
					More data for this Ligand-Target Pair

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