Compile Data Set for Download or QSAR

Found 347 hits with Last Name = 'torrens-jover' and Initial = 'a'   

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 (Mus musculus (Mouse))	BDBM50077877 (CHEMBL3417042 | US9611229, 2) Show SMILES Clc1ccc(cc1Cl)-n1cc(NCCN2CCCCC2)nn1 Show InChI InChI=1S/C15H19Cl2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077891 (CHEMBL3417066 | US9611229, 12) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077886 (CHEMBL3417058 | US9611229, 9) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl Show InChI InChI=1S/C16H21Cl2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM314366 (N-(2-(azepan-1- yl)ethyl)-1-(1- adamantyl)-1H- 1,2...) Show SMILES C(CN1CCCCCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:16.17.18:24,THB:20:21:16:18.19.24| Show InChI InChI=1S/C20H33N5/c1-2-4-7-24(6-3-1)8-5-21-19-15-25(23-22-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18,21H,1-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077899 (CHEMBL3417052 | US9611229, 13) Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCCCC2)nn1 Show InChI InChI=1S/C16H22FN5/c17-14-6-5-7-15(12-14)22-13-16(19-20-22)18-8-11-21-9-3-1-2-4-10-21/h5-7,12-13,18H,1-4,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	11.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077905 (CHEMBL3417068 | US9611229, 33) Show SMILES Clc1ccc(Cn2cc(NCCN3CCCOCC3)nn2)cc1Cl Show InChI InChI=1S/C16H21Cl2N5O/c17-14-3-2-13(10-15(14)18)11-23-12-16(20-21-23)19-4-6-22-5-1-8-24-9-7-22/h2-3,10,12,19H,1,4-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077892 (CHEMBL3417067 | US9611229, 15) Show SMILES C(CN1CCCCCC1)Nc1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C17H25N5/c1-2-7-12-21(11-6-1)13-10-18-17-15-22(20-19-17)14-16-8-4-3-5-9-16/h3-5,8-9,15,18H,1-2,6-7,10-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	23.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077878 (CHEMBL3417043 | US9611229, 3) Show SMILES Clc1ccc(c(Cl)c1)-n1cc(NCCN2CCCCC2)nn1 Show InChI InChI=1S/C15H19Cl2N5/c16-12-4-5-14(13(17)10-12)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	31.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077881 (CHEMBL3417047 | US9611229, 47) Show SMILES Fc1ccc(cc1F)-n1cc(NCCN2CCCCC2)nn1 Show InChI InChI=1S/C15H19F2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	31.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077889 (CHEMBL3417061 | US9611229, 37) Show SMILES Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1F Show InChI InChI=1S/C16H21F2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	32.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM314373 (1-(3-fluorophenyl)-N- (2-(pyrrolidin-1- yl)ethyl)-...) Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCC2)nn1 Show InChI InChI=1S/C14H18FN5/c15-12-4-3-5-13(10-12)20-11-14(17-18-20)16-6-9-19-7-1-2-8-19/h3-5,10-11,16H,1-2,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM314290 (1-(3,4- dichlorobenzyl)-N- (3-(piperidin-1- yl)pro...) Show SMILES Clc1ccc(Cn2cc(NCCCN3CCCCC3)nn2)cc1Cl Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-4-10-23-8-2-1-3-9-23/h5-6,11,13,20H,1-4,7-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	34.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077888 (CHEMBL3417060 | US9611229, 18) Show SMILES Fc1cccc(Cn2cc(NCCN3CCCCC3)nn2)c1 Show InChI InChI=1S/C16H22FN5/c17-15-6-4-5-14(11-15)12-22-13-16(19-20-22)18-7-10-21-8-2-1-3-9-21/h4-6,11,13,18H,1-3,7-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	35.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077883 (CHEMBL3417054 | US9611229, 32) Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCOCC2)nn1 Show InChI InChI=1S/C15H20FN5O/c16-13-3-1-4-14(11-13)21-12-15(18-19-21)17-5-7-20-6-2-9-22-10-8-20/h1,3-4,11-12,17H,2,5-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	36.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM314393 (1-(3,4- dichlorobenzyl)-N- (3-(piperidin-1- yl)pro...) Show SMILES CCCN(CCCN1CCCCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1 Show InChI InChI=1S/C20H29Cl2N5/c1-2-9-26(13-6-12-25-10-4-3-5-11-25)20-16-27(24-23-20)15-17-7-8-18(21)19(22)14-17/h7-8,14,16H,2-6,9-13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077893 (CHEMBL3417069 | US9611229, 40) Show SMILES Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F Show InChI InChI=1S/C16H19F4N5/c17-13-2-1-12(9-14(13)18)10-25-11-15(22-23-25)21-5-8-24-6-3-16(19,20)4-7-24/h1-2,9,11,21H,3-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	45.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077882 (CHEMBL3417049 | US9611229, 5) Show SMILES Clc1ccc(cc1Cl)-n1cc(NCCN2CCOCC2)nn1 Show InChI InChI=1S/C14H17Cl2N5O/c15-12-2-1-11(9-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20/h1-2,9-10,17H,3-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	45.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077885 (CHEMBL3417057 | US9611229, 4) Show SMILES C(CN1CCCCC1)Nc1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C16H23N5/c1-3-7-15(8-4-1)13-21-14-16(18-19-21)17-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,17H,2,5-6,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	48.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077887 (CHEMBL3417059 | US9611229, 17) Show SMILES Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1 Show InChI InChI=1S/C16H22FN5/c17-15-6-4-14(5-7-15)12-22-13-16(19-20-22)18-8-11-21-9-2-1-3-10-21/h4-7,13,18H,1-3,8-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	51.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077900 (CHEMBL3417053 | US9611229, 31) Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCN(CC2)C2CCCCC2)nn1 Show InChI InChI=1S/C20H29FN6/c21-17-5-4-8-19(15-17)27-16-20(23-24-27)22-9-10-25-11-13-26(14-12-25)18-6-2-1-3-7-18/h4-5,8,15-16,18,22H,1-3,6-7,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	56.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077880 (CHEMBL3417045 | US9611229, 46) Show SMILES Fc1cccc(c1)-n1cc(NCCN2CCCCC2)nn1 Show InChI InChI=1S/C15H20FN5/c16-13-5-4-6-14(11-13)21-12-15(18-19-21)17-7-10-20-8-2-1-3-9-20/h4-6,11-12,17H,1-3,7-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	57.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077890 (CHEMBL3417063 | US9611229, 7) Show SMILES Clc1ccc(Cn2cc(NCCN3CCOCC3)nn2)cc1Cl Show InChI InChI=1S/C15H19Cl2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	61.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077879 (CHEMBL3417044 | US9611229, 39) Show SMILES Clc1ccc(cc1)-n1cc(NCCN2CCCCC2)nn1 Show InChI InChI=1S/C15H20ClN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	61.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM314376 (1-cyclohexyl-N-(2-(4- cyclohexylpiperazin- 1-yl)et...) Show SMILES C(CN1CCN(CC1)C1CCCCC1)Nc1cn(nn1)C1CCCCC1 Show InChI InChI=1S/C20H36N6/c1-3-7-18(8-4-1)25-15-13-24(14-16-25)12-11-21-20-17-26(23-22-20)19-9-5-2-6-10-19/h17-19,21H,1-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	62.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM314375 (1-cyclohexyl-N-(2- (piperidin-1-yl)ethyl)- 1H-1,2,...) Show SMILES C(CN1CCCCC1)Nc1cn(nn1)C1CCCCC1 Show InChI InChI=1S/C15H27N5/c1-3-7-14(8-4-1)20-13-15(17-18-20)16-9-12-19-10-5-2-6-11-19/h13-14,16H,1-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	68.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077884 (CHEMBL3417055 | US9611229, 43) Show SMILES Fc1ccc(cc1F)-n1cc(NCCN2CCC(F)(F)CC2)nn1 Show InChI InChI=1S/C15H17F4N5/c16-12-2-1-11(9-13(12)17)24-10-14(21-22-24)20-5-8-23-6-3-15(18,19)4-7-23/h1-2,9-10,20H,3-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	70.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM314392 (N-(1-(1- adamantyl)-1H- 1,2,3-triazol-4- yl)-N-(2-...) Show SMILES CC(=O)N(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:18.19.20:26,THB:22:23:18:20.21.26| Show InChI InChI=1S/C20H31N5O2/c1-15(26)24(3-2-23-4-6-27-7-5-23)19-14-25(22-21-19)20-11-16-8-17(12-20)10-18(9-16)13-20/h14,16-18H,2-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	71.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077869 (CHEMBL3417078 | US9611229, 6) Show SMILES C(CN1CCOCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:19:18:15:21.20.22,19:20:17.18.23:15,23:18:21:14.15.22,11:14:21:17.18.19| Show InChI InChI=1S/C18H29N5O/c1(2-22-3-5-24-6-4-22)19-17-13-23(21-20-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16,19H,1-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	97.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50077862 (CHEMBL3417071 | US9611229, 49) Show SMILES C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1 |r| Show InChI InChI=1S/C18H26FN5/c1-14-4-3-5-15(2)24(14)11-10-20-18-13-23(22-21-18)12-16-6-8-17(19)9-7-16/h6-9,13-15,20H,3-5,10-12H2,1-2H3/t14-,15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	99.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432197 (N-{2-[Benzyl(methyl)amino]ethyl}-N-(1-phenyl-1H-py...) Show SMILES CN(CCN(C(=O)c1cccs1)c1ccn(n1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C24H24N4OS/c1-26(19-20-9-4-2-5-10-20)16-17-27(24(29)22-13-8-18-30-22)23-14-15-28(25-23)21-11-6-3-7-12-21/h2-15,18H,16-17,19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432198 (N-{3-[Benzyl(methyl)amino]propyl}-N-(1-phenyl-1H-p...) Show SMILES CN(CCCN(C(=O)c1cccs1)c1ccn(n1)-c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C25H26N4OS/c1-27(20-21-10-4-2-5-11-21)16-9-17-28(25(30)23-14-8-19-31-23)24-15-18-29(26-24)22-12-6-3-7-13-22/h2-8,10-15,18-19H,9,16-17,20H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432215 (N-(1-Benzylpiperidin-4-yl)-N-[1-(pyridin-4-yl)-1H-...) Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccncc1)c1cccs1 Show InChI InChI=1S/C25H25N5OS/c31-25(23-7-4-18-32-23)30(24-12-17-29(27-24)21-8-13-26-14-9-21)22-10-15-28(16-11-22)19-20-5-2-1-3-6-20/h1-9,12-14,17-18,22H,10-11,15-16,19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432216 (N-(1-Benzylpiperidin-4-yl)-N-[1-(pyridin-3-yl)-1H-...) Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1cccnc1)c1cccs1 Show InChI InChI=1S/C25H25N5OS/c31-25(23-9-5-17-32-23)30(24-12-16-29(27-24)22-8-4-13-26-18-22)21-10-14-28(15-11-21)19-20-6-2-1-3-7-20/h1-9,12-13,16-18,21H,10-11,14-15,19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432217 (N-(1-Benzylpiperidin-4-yl)-N-[1-(pyridin-2-yl)-1H-...) Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccccn1)c1cccs1 Show InChI InChI=1S/C25H25N5OS/c31-25(22-9-6-18-32-22)30(24-13-17-29(27-24)23-10-4-5-14-26-23)21-11-15-28(16-12-21)19-20-7-2-1-3-8-20/h1-10,13-14,17-18,21H,11-12,15-16,19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432219 (N-(1-Benzylpiperidin-4-yl)-N-[1-(3-fluoropyridin-4...) Show SMILES Fc1cnccc1-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C25H24FN5OS/c26-21-17-27-12-8-22(21)30-15-11-24(28-30)31(25(32)23-7-4-16-33-23)20-9-13-29(14-10-20)18-19-5-2-1-3-6-19/h1-8,11-12,15-17,20H,9-10,13-14,18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432220 (N-(1-Benzylpiperidin-4-yl)-N-[1-(3-chloropyridin-4...) Show SMILES Clc1cnccc1-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C25H24ClN5OS/c26-21-17-27-12-8-22(21)30-15-11-24(28-30)31(25(32)23-7-4-16-33-23)20-9-13-29(14-10-20)18-19-5-2-1-3-6-19/h1-8,11-12,15-17,20H,9-10,13-14,18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432248 (3-Hydroxy-N-[1-(3-methoxyphenyl)-1H-pyrazol-3-yl]-...) Show SMILES COc1cccc(c1)-n1ccc(n1)N(C1CCN(C)CC1)C(=O)c1cccc(O)c1 Show InChI InChI=1S/C23H26N4O3/c1-25-12-9-18(10-13-25)27(23(29)17-5-3-7-20(28)15-17)22-11-14-26(24-22)19-6-4-8-21(16-19)30-2/h3-8,11,14-16,18,28H,9-10,12-13H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM432250 (N-{1-[3-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-...) Show SMILES CN1CCC(CC1)N(C(=O)c1cccs1)c1ccn(n1)-c1cccc(c1)-c1nnc(C)o1 Show InChI InChI=1S/C23H24N6O2S/c1-16-24-25-22(31-16)17-5-3-6-19(15-17)28-13-10-21(26-28)29(18-8-11-27(2)12-9-18)23(30)20-7-4-14-32-20/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432253 (N-(1-Benzylpiperidin-4-yl)-N-[1-(4-cyanophenyl)-1H...) Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1ccc(cc1)C#N)c1cccs1 Show InChI InChI=1S/C27H25N5OS/c28-19-21-8-10-23(11-9-21)31-17-14-26(29-31)32(27(33)25-7-4-18-34-25)24-12-15-30(16-13-24)20-22-5-2-1-3-6-22/h1-11,14,17-18,24H,12-13,15-16,20H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432254 (N-(1-Benzylpiperidin-4-yl)-N-[1-(3-cyanophenyl)-1H...) Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccn(n1)-c1cccc(c1)C#N)c1cccs1 Show InChI InChI=1S/C27H25N5OS/c28-19-22-8-4-9-24(18-22)31-16-13-26(29-31)32(27(33)25-10-5-17-34-25)23-11-14-30(15-12-23)20-21-6-2-1-3-7-21/h1-10,13,16-18,23H,11-12,14-15,20H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432256 (N-(1-Benzylpiperidin-4-yl)-N-[1-(3-fluorophenyl)-1...) Show SMILES Fc1cccc(c1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C26H25FN4OS/c27-21-8-4-9-23(18-21)30-16-13-25(28-30)31(26(32)24-10-5-17-33-24)22-11-14-29(15-12-22)19-20-6-2-1-3-7-20/h1-10,13,16-18,22H,11-12,14-15,19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432258 (N-[1-(3-Methoxyphenyl)-1H-pyrazol-3-yl]-N-[1-(pyri...) Show SMILES COc1cccc(c1)-n1ccc(n1)N(C1CCN(Cc2ccccn2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C26H27N5O2S/c1-33-23-8-4-7-22(18-23)30-16-12-25(28-30)31(26(32)24-9-5-17-34-24)21-10-14-29(15-11-21)19-20-6-2-3-13-27-20/h2-9,12-13,16-18,21H,10-11,14-15,19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432134 (N-(1-Benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-1...) Show SMILES Fc1ccc(cc1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C26H25FN4OS/c27-21-8-10-22(11-9-21)30-17-14-25(28-30)31(26(32)24-7-4-18-33-24)23-12-15-29(16-13-23)19-20-5-2-1-3-6-20/h1-11,14,17-18,23H,12-13,15-16,19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432135 (N-(1-Benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-1...) Show SMILES Fc1ccc(cc1)-n1ccc(n1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccco1 Show InChI InChI=1S/C26H25FN4O2/c27-21-8-10-22(11-9-21)30-17-14-25(28-30)31(26(32)24-7-4-18-33-24)23-12-15-29(16-13-23)19-20-5-2-1-3-6-20/h1-11,14,17-18,23H,12-13,15-16,19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432269 (N-[6-(4-Methoxyphenyl)pyrazin-2-yl]-N-(1-methylpip...) Show SMILES COc1ccc(cc1)-c1cccc(n1)N(C1CCN(C)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C23H25N3O2S/c1-25-14-12-18(13-15-25)26(23(27)21-6-4-16-29-21)22-7-3-5-20(24-22)17-8-10-19(28-2)11-9-17/h3-11,16,18H,12-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432272 (N-(1-benzylpiperidin-4-yl)-N-(1-(4-fluorophenyl)-1...) Show SMILES Fc1ccc(cc1)-n1cc(nn1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C25H24FN5OS/c26-20-8-10-21(11-9-20)30-18-24(27-28-30)31(25(32)23-7-4-16-33-23)22-12-14-29(15-13-22)17-19-5-2-1-3-6-19/h1-11,16,18,22H,12-15,17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432273 (N-(1-benzylpiperidin-4-yl)-N-(1-phenyl-1H-1,2,3-tr...) Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1cn(nn1)-c1ccccc1)c1cccs1 Show InChI InChI=1S/C25H25N5OS/c31-25(23-12-7-17-32-23)30(24-19-29(27-26-24)21-10-5-2-6-11-21)22-13-15-28(16-14-22)18-20-8-3-1-4-9-20/h1-12,17,19,22H,13-16,18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432273 (N-(1-benzylpiperidin-4-yl)-N-(1-phenyl-1H-1,2,3-tr...) Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1cn(nn1)-c1ccccc1)c1cccs1 Show InChI InChI=1S/C25H25N5OS/c31-25(23-12-7-17-32-23)30(24-19-29(27-26-24)21-10-5-2-6-11-21)22-13-15-28(16-14-22)18-20-8-3-1-4-9-20/h1-12,17,19,22H,13-16,18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432288 (N-{(1s,4s)-4-[Benzyl(methyl)amino]cyclohexyl}-N-{1...) Show SMILES CN(Cc1ccccc1)[C@H]1CC[C@H](CC1)N(C(=O)c1cccs1)c1ccn(n1)-c1cccc(c1)-c1nnc(C)o1 |r,wU:12.16,9.9,(4.05,1.14,;3.65,2.63,;4.74,3.72,;6.22,3.32,;6.62,1.83,;8.11,1.44,;9.2,2.52,;8.8,4.01,;7.31,4.41,;2.16,3.03,;1.07,1.94,;-.42,2.34,;-.82,3.83,;.27,4.92,;1.76,4.52,;-2.3,4.23,;-2.7,5.71,;-1.61,6.8,;-4.19,6.11,;-5.09,4.87,;-6.56,5.34,;-6.56,6.88,;-5.09,7.36,;-3.39,3.14,;-4.93,3.14,;-5.41,1.67,;-4.16,.77,;-2.92,1.67,;-4.16,-.77,;-2.83,-1.54,;-2.83,-3.08,;-4.16,-3.85,;-5.5,-3.08,;-5.5,-1.54,;-6.83,-3.85,;-8.29,-3.38,;-9.2,-4.62,;-8.29,-5.87,;-8.69,-7.36,;-6.83,-5.39,)| Show InChI InChI=1S/C31H32N6O2S/c1-22-32-33-30(39-22)24-10-6-11-27(20-24)36-18-17-29(34-36)37(31(38)28-12-7-19-40-28)26-15-13-25(14-16-26)35(2)21-23-8-4-3-5-9-23/h3-12,17-20,25-26H,13-16,21H2,1-2H3/t25-,26+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM432289 (N-{(1r,4r)-4-[Benzyl(methyl)amino]cyclohexyl}-3-hy...) Show SMILES CN(Cc1ccccc1)[C@H]1CC[C@@H](CC1)N(C(=O)c1cccc(O)c1)c1ccn(n1)-c1cccc(c1)-c1nnc(C)o1 |r,wU:12.16,wD:9.9,(4.05,.08,;3.65,1.57,;4.74,2.66,;6.22,2.26,;6.62,.77,;8.11,.37,;9.2,1.46,;8.8,2.95,;7.31,3.35,;2.16,1.97,;1.76,3.45,;.27,3.85,;-.82,2.76,;-.42,1.28,;1.07,.88,;-2.3,3.16,;-2.7,4.65,;-1.61,5.74,;-4.19,5.05,;-5.28,3.96,;-6.77,4.36,;-7.16,5.84,;-6.07,6.93,;-6.47,8.42,;-4.59,6.53,;-3.39,2.07,;-4.93,2.07,;-5.41,.61,;-4.16,-.3,;-2.92,.61,;-4.16,-1.84,;-2.83,-2.61,;-2.83,-4.15,;-4.16,-4.92,;-5.5,-4.15,;-5.5,-2.61,;-6.83,-4.92,;-8.29,-4.44,;-9.2,-5.69,;-8.29,-6.93,;-8.69,-8.42,;-6.83,-6.46,)| Show InChI InChI=1S/C33H34N6O3/c1-23-34-35-32(42-23)25-10-6-12-29(20-25)38-19-18-31(36-38)39(33(41)26-11-7-13-30(40)21-26)28-16-14-27(15-17-28)37(2)22-24-8-4-3-5-9-24/h3-13,18-21,27-28,40H,14-17,22H2,1-2H3/t27-,28-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description To investigate binding properties of test compounds to human μ-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ...				US Patent US10577360 (2020) BindingDB Entry DOI: 10.7270/Q2MC92DM
					More data for this Ligand-Target Pair

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