Compile Data Set for Download or QSAR

Found 268 hits with Last Name = 'charton' and Initial = 'j'   

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
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM50427703 (CHEMBL2324220) Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r,wU:7.7,45.48,11.11,wD:31.32,(15.26,-7.72,;16.62,-8.43,;17.92,-7.6,;16.69,-9.97,;15.39,-10.79,;15.46,-12.33,;14.16,-13.16,;14.24,-14.7,;12.94,-15.53,;11.61,-14.76,;11.61,-13.22,;10.27,-15.53,;10.27,-17.07,;8.94,-17.84,;7.6,-17.07,;8.94,-19.38,;7.6,-20.16,;8.97,-14.76,;8.94,-13.22,;7.58,-12.47,;7.55,-10.93,;8.87,-10.13,;8.84,-8.59,;10.15,-7.8,;11.51,-8.53,;11.55,-10.08,;10.22,-10.88,;10.26,-12.42,;15.6,-15.4,;15.66,-16.95,;16.9,-14.58,;18.26,-15.29,;18.34,-16.83,;19.7,-17.53,;21.15,-17.03,;22.08,-18.26,;21.2,-19.52,;21.54,-21.02,;20.42,-22.07,;18.95,-21.62,;18.6,-20.12,;19.73,-19.07,;19.56,-14.46,;19.49,-12.92,;20.92,-15.17,;22.22,-14.34,;22.16,-12.8,;23.45,-11.98,;23.38,-10.44,;22.02,-9.73,;24.68,-9.61,;23.58,-15.05,;24.88,-14.22,;23.66,-16.59,)| Show InChI InChI=1S/C37H45N9O8/c38-33(50)28(13-14-32(48)49)43-36(53)30(18-25-20-42-27-9-4-3-8-26(25)27)45-35(52)29(10-5-15-41-37(39)40)44-34(51)24(19-31(47)46-54)17-21-11-12-22-6-1-2-7-23(22)16-21/h1-4,6-9,11-12,16,20,24,28-30,42,54H,5,10,13-15,17-19H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,47)(H,48,49)(H4,39,40,41)/t24-,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Inhibition of human recombinant IDE expressed in CHO cells in presence of [125I]-insulin by HTRF assay				Eur J Med Chem 179: 557-566 (2019) Article DOI: 10.1016/j.ejmech.2019.06.057 BindingDB Entry DOI: 10.7270/Q2XS5ZT5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172914 ((S)-2-(2-Piperidin-1-yl-ethyl)-3-thioxo-2,3,10,10a...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=S)n1CCN1CCCCC1 Show InChI InChI=1S/C18H23N3OS/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...				Bioorg Med Chem Lett 15: 4833-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.040 BindingDB Entry DOI: 10.7270/Q2PN9553
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human NEP-mediated amyloid beta hydrolysis				Eur J Med Chem 79: 184-93 (2014) Article DOI: 10.1016/j.ejmech.2014.04.009 BindingDB Entry DOI: 10.7270/Q27H1M34
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50382480 (CHEMBL2022215) Show SMILES CC(C)(C)OC(=O)NCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O |r| Show InChI InChI=1S/C32H37N5O6/c1-32(2,3)43-31(40)33-11-13-35-12-10-20(16-35)36-17-27(38)37-24(30(36)39)15-22-21-6-4-5-7-23(21)34-28(22)29(37)19-8-9-25-26(14-19)42-18-41-25/h4-9,14,20,24,29,34H,10-13,15-18H2,1-3H3,(H,33,40)/t20-,24-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50382484 (CHEMBL2022213) Show SMILES Cn1ccnc1CN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O |r| Show InChI InChI=1S/C30H30N6O4/c1-33-11-9-31-26(33)15-34-10-8-19(14-34)35-16-27(37)36-23(30(35)38)13-21-20-4-2-3-5-22(20)32-28(21)29(36)18-6-7-24-25(12-18)40-17-39-24/h2-7,9,11-12,19,23,29,32H,8,10,13-17H2,1H3/t19-,23-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50382483 (CHEMBL2022212) Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H29N5O4/c37-28-17-35(21-10-12-34(16-21)15-20-5-3-4-11-32-20)31(38)25-14-23-22-6-1-2-7-24(22)33-29(23)30(36(25)28)19-8-9-26-27(13-19)40-18-39-26/h1-9,11,13,21,25,30,33H,10,12,14-18H2/t21-,25-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172886 ((S)-2-[3-(Methyl-phenethyl-amino)-propyl]-10,10a-d...) Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1 Show InChI InChI=1S/C23H27N3O2/c1-24(15-12-18-8-3-2-4-9-18)13-7-14-25-22(27)21-16-19-10-5-6-11-20(19)17-26(21)23(25)28/h2-6,8-11,27H,7,12-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...				Bioorg Med Chem Lett 15: 4833-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.040 BindingDB Entry DOI: 10.7270/Q2PN9553
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172884 ((S)-2-(1-Benzyl-piperidin-4-yl)-10,10a-dihydro-5H-...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H25N3O2/c27-22-21-14-18-8-4-5-9-19(18)16-25(21)23(28)26(22)20-10-12-24(13-11-20)15-17-6-2-1-3-7-17/h1-9,20,27H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.5	22
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172874 ((S)-2-{2-[Methyl-(5-phenyl-pentyl)-amino]-ethyl}-1...) Show SMILES CN(CCCCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O Show InChI InChI=1S/C25H31N3O2/c1-26(15-9-3-6-12-20-10-4-2-5-11-20)16-17-27-24(29)23-18-21-13-7-8-14-22(21)19-28(23)25(27)30/h2,4-5,7-8,10-11,13-14,29H,3,6,9,12,15-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50382482 (CHEMBL2022214) Show SMILES CN(C)C(=O)CN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O |r| Show InChI InChI=1S/C29H31N5O5/c1-31(2)25(35)14-32-10-9-18(13-32)33-15-26(36)34-22(29(33)37)12-20-19-5-3-4-6-21(19)30-27(20)28(34)17-7-8-23-24(11-17)39-16-38-23/h3-8,11,18,22,28,30H,9-10,12-16H2,1-2H3/t18-,22-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172869 ((S)-2-{2-[Methyl-(4-phenyl-butyl)-amino]-ethyl}-10...) Show SMILES CN(CCCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O Show InChI InChI=1S/C24H29N3O2/c1-25(14-8-7-11-19-9-3-2-4-10-19)15-16-26-23(28)22-17-20-12-5-6-13-21(20)18-27(22)24(26)29/h2-6,9-10,12-13,28H,7-8,11,14-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172868 ((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...) Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM50525490 (CHEMBL4437643) Show SMILES COC(=O)NC[C@@H](Cc1cnc2ccccc2c1)c1ccc(OCCCCCc2ccc(NC(=O)[C@H](C3CCCCC3)N3CCC[C@H](N)C3=O)cc2)cc1 |r| Show InChI InChI=1S/C44H55N5O5/c1-53-44(52)47-30-36(28-32-27-35-14-7-8-16-40(35)46-29-32)33-19-23-38(24-20-33)54-26-9-3-4-11-31-17-21-37(22-18-31)48-42(50)41(34-12-5-2-6-13-34)49-25-10-15-39(45)43(49)51/h7-8,14,16-24,27,29,34,36,39,41H,2-6,9-13,15,25-26,28,30,45H2,1H3,(H,47,52)(H,48,50)/t36-,39+,41+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Inhibition of recombinant IDE exosite (unknown origin) expressed in Escherichia coli using insulin as substrate incubated for 4 hrs by AlphaLisa assa...				Eur J Med Chem 179: 557-566 (2019) Article DOI: 10.1016/j.ejmech.2019.06.057 BindingDB Entry DOI: 10.7270/Q2XS5ZT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172875 ((S)-2-[4-(Benzyl-methyl-amino)-butyl]-10,10a-dihyd...) Show SMILES CN(CCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C23H27N3O2/c1-24(16-18-9-3-2-4-10-18)13-7-8-14-25-22(27)21-15-19-11-5-6-12-20(19)17-26(21)23(25)28/h2-6,9-12,27H,7-8,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172881 ((S)-2-[2-(Benzyl-methyl-amino)-ethyl]-10,10a-dihyd...) Show SMILES CN(CCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C21H23N3O2/c1-22(14-16-7-3-2-4-8-16)11-12-23-20(25)19-13-17-9-5-6-10-18(17)15-24(19)21(23)26/h2-10,25H,11-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM14777 ((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...) Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50126458 ((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...) Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172880 ((S)-2-[5-(Benzyl-methyl-amino)-pentyl]-10,10a-dihy...) Show SMILES CN(CCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C24H29N3O2/c1-25(17-19-10-4-2-5-11-19)14-8-3-9-15-26-23(28)22-16-20-12-6-7-13-21(20)18-27(22)24(26)29/h2,4-7,10-13,28H,3,8-9,14-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172877 ((S)-2-(2-Piperidin-1-yl-ethyl)-10,10a-dihydro-5H-i...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1 Show InChI InChI=1S/C18H23N3O2/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...				Bioorg Med Chem Lett 15: 4833-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.040 BindingDB Entry DOI: 10.7270/Q2PN9553
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50382485 (CHEMBL2022209) Show SMILES O=C1CN([C@@H]2CCN(Cc3ccc4OCOc4c3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C33H30N4O6/c38-30-16-36(21-9-10-35(15-21)14-19-5-7-26-28(11-19)42-17-40-26)33(39)25-13-23-22-3-1-2-4-24(22)34-31(23)32(37(25)30)20-6-8-27-29(12-20)43-18-41-27/h1-8,11-12,21,25,32,34H,9-10,13-18H2/t21-,25-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172887 ((S)-2-[6-(Benzyl-methyl-amino)-hexyl]-10,10a-dihyd...) Show SMILES CN(CCCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1 Show InChI InChI=1S/C25H31N3O2/c1-26(18-20-11-5-4-6-12-20)15-9-2-3-10-16-27-24(29)23-17-21-13-7-8-14-22(21)19-28(23)25(27)30/h4-8,11-14,29H,2-3,9-10,15-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172871 ((S)-2-(3-Benzylamino-propyl)-10,10a-dihydro-5H-imi...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNCc1ccccc1 Show InChI InChI=1S/C21H23N3O2/c25-20-19-13-17-9-4-5-10-18(17)15-24(19)21(26)23(20)12-6-11-22-14-16-7-2-1-3-8-16/h1-5,7-10,22,25H,6,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172876 ((S)-2-[4-(Methyl-phenethyl-amino)-butyl]-10,10a-di...) Show SMILES CN(CCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1 Show InChI InChI=1S/C24H29N3O2/c1-25(16-13-19-9-3-2-4-10-19)14-7-8-15-26-23(28)22-17-20-11-5-6-12-21(20)18-27(22)24(26)29/h2-6,9-12,28H,7-8,13-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172873 ((S)-2-[3-(4-Phenyl-butylamino)-propyl]-10,10a-dihy...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNCCCCc1ccccc1 Show InChI InChI=1S/C24H29N3O2/c28-23-22-17-20-12-4-5-13-21(20)18-27(22)24(29)26(23)16-8-15-25-14-7-6-11-19-9-2-1-3-10-19/h1-5,9-10,12-13,25,28H,6-8,11,14-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.5	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of human ACE-mediated amyloid beta hydrolysis				Eur J Med Chem 79: 184-93 (2014) Article DOI: 10.1016/j.ejmech.2014.04.009 BindingDB Entry DOI: 10.7270/Q27H1M34
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172893 ((S)-2-[5-(Methyl-phenethyl-amino)-pentyl]-10,10a-d...) Show SMILES CN(CCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1 Show InChI InChI=1S/C25H31N3O2/c1-26(17-14-20-10-4-2-5-11-20)15-8-3-9-16-27-24(29)23-18-21-12-6-7-13-22(21)19-28(23)25(27)30/h2,4-7,10-13,29H,3,8-9,14-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.7	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172867 ((S)-2-[2-(Methyl-phenethyl-amino)-ethyl]-10,10a-di...) Show SMILES CN(CCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O Show InChI InChI=1S/C22H25N3O2/c1-23(12-11-17-7-3-2-4-8-17)13-14-24-21(26)20-15-18-9-5-6-10-19(18)16-25(20)22(24)27/h2-10,26H,11-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.6	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172888 ((S)-2-{2-[Methyl-(3-phenyl-propyl)-amino]-ethyl}-1...) Show SMILES CN(CCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O Show InChI InChI=1S/C23H27N3O2/c1-24(13-7-10-18-8-3-2-4-9-18)14-15-25-22(27)21-16-19-11-5-6-12-20(19)17-26(21)23(25)28/h2-6,8-9,11-12,27H,7,10,13-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.6	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using insulin as substrate preincubated for 10 mins followed by su...				Eur J Med Chem 179: 557-566 (2019) Article DOI: 10.1016/j.ejmech.2019.06.057 BindingDB Entry DOI: 10.7270/Q2XS5ZT5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172877 ((S)-2-(2-Piperidin-1-yl-ethyl)-10,10a-dihydro-5H-i...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1 Show InChI InChI=1S/C18H23N3O2/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172877 ((S)-2-(2-Piperidin-1-yl-ethyl)-10,10a-dihydro-5H-i...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1 Show InChI InChI=1S/C18H23N3O2/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...				Bioorg Med Chem Lett 15: 4833-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.040 BindingDB Entry DOI: 10.7270/Q2PN9553
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172879 ((S)-2-(3-Piperidin-1-yl-propyl)-10,10a-dihydro-5H-...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCCCC1 Show InChI InChI=1S/C19H25N3O2/c23-18-17-13-15-7-2-3-8-16(15)14-22(17)19(24)21(18)12-6-11-20-9-4-1-5-10-20/h2-3,7-8,23H,1,4-6,9-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...				Bioorg Med Chem Lett 15: 4833-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.040 BindingDB Entry DOI: 10.7270/Q2PN9553
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172879 ((S)-2-(3-Piperidin-1-yl-propyl)-10,10a-dihydro-5H-...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCCCC1 Show InChI InChI=1S/C19H25N3O2/c23-18-17-13-15-7-2-3-8-16(15)14-22(17)19(24)21(18)12-6-11-20-9-4-1-5-10-20/h2-3,7-8,23H,1,4-6,9-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.5	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172889 ((S)-2-[3-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C26H30N4O4/c31-25-22-15-20-4-1-2-5-21(20)17-30(22)26(32)29(25)9-3-8-27-10-12-28(13-11-27)16-19-6-7-23-24(14-19)34-18-33-23/h1-2,4-7,14,31H,3,8-13,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.8	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50382481 (CHEMBL2022219) Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2nsnc2c1 |r| Show InChI InChI=1S/C31H28N6O2S/c38-28-18-36(21-12-13-35(17-21)16-19-6-2-1-3-7-19)31(39)27-15-23-22-8-4-5-9-24(22)32-29(23)30(37(27)28)20-10-11-25-26(14-20)34-40-33-25/h1-11,14,21,27,30,32H,12-13,15-18H2/t21-,27-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172885 ((S)-2-[6-(Methyl-phenethyl-amino)-hexyl]-10,10a-di...) Show SMILES CN(CCCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1 Show InChI InChI=1S/C26H33N3O2/c1-27(18-15-21-11-5-4-6-12-21)16-9-2-3-10-17-28-25(30)24-19-22-13-7-8-14-23(22)20-29(24)26(28)31/h4-8,11-14,30H,2-3,9-10,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.5	n/a	n/a	n/a	n/a	7.5	22
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172872 ((S)-2-[3-(4-Benzyl-piperazin-1-yl)-propyl]-10,10a-...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H30N4O2/c30-24-23-17-21-9-4-5-10-22(21)19-29(23)25(31)28(24)12-6-11-26-13-15-27(16-14-26)18-20-7-2-1-3-8-20/h1-5,7-10,30H,6,11-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substra...				Eur J Med Chem 179: 557-566 (2019) Article DOI: 10.1016/j.ejmech.2019.06.057 BindingDB Entry DOI: 10.7270/Q2XS5ZT5
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Mus musculus (Mouse))	BDBM50525489 (CHEMBL4556893) Show SMILES NCCCC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:9| Show InChI InChI=1S/C41H55N7O7/c42-23-9-7-16-32-40(54)48-34(25-27-11-3-1-4-12-27)41(55)47-33(26-28-17-19-30(20-18-28)37(51)29-13-5-2-6-14-29)39(53)44-24-10-8-15-31(38(43)52)45-35(49)21-22-36(50)46-32/h2,5-6,13-14,17-22,27,31-34H,1,3-4,7-12,15-16,23-26,42H2,(H2,43,52)(H,44,53)(H,45,49)(H,46,50)(H,47,55)(H,48,54)/b22-21+/t31-,32-,33+,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged mouse recombinant IDE Escherichia coli BL21 (DE3) cells using fluorogenic peptide Mca-RPPGFSAFK(Dnp)-OH as subst...				Eur J Med Chem 179: 557-566 (2019) Article DOI: 10.1016/j.ejmech.2019.06.057 BindingDB Entry DOI: 10.7270/Q2XS5ZT5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172912 ((S)-2-(2-Piperidin-1-yl-ethyl)-1,5,10,10a-tetrahyd...) Show SMILES O=C1N(CCN2CCCCC2)C[C@@H]2Cc3ccccc3CN12 Show InChI InChI=1S/C18H25N3O/c22-18-20(11-10-19-8-4-1-5-9-19)14-17-12-15-6-2-3-7-16(15)13-21(17)18/h2-3,6-7,17H,1,4-5,8-14H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...				Bioorg Med Chem Lett 15: 4833-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.040 BindingDB Entry DOI: 10.7270/Q2PN9553
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50382479 (CHEMBL2022222) Show SMILES COc1ccc(cc1O)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1 |r| Show InChI InChI=1S/C32H32N4O4/c1-40-28-12-11-21(15-27(28)37)31-30-24(23-9-5-6-10-25(23)33-30)16-26-32(39)35(19-29(38)36(26)31)22-13-14-34(18-22)17-20-7-3-2-4-8-20/h2-12,15,22,26,31,33,37H,13-14,16-19H2,1H3/t22-,26-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay				J Med Chem 55: 1274-86 (2012) Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW
					More data for this Ligand-Target Pair
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM50462574 (CHEMBL4241044) Show SMILES ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1 |r| Show InChI InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using insulin as substrate preincubated for 10 mins followed by su...				Eur J Med Chem 179: 557-566 (2019) Article DOI: 10.1016/j.ejmech.2019.06.057 BindingDB Entry DOI: 10.7270/Q2XS5ZT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Insulin-degrading enzyme (Homo sapiens (Human))	BDBM50462574 (CHEMBL4241044) Show SMILES ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1 |r| Show InChI InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Inhibition of wild type human IDE catalytic site using insulin as substrate preincubated for 10 mins followed by substrate addition and measured afte...				Eur J Med Chem 179: 557-566 (2019) Article DOI: 10.1016/j.ejmech.2019.06.057 BindingDB Entry DOI: 10.7270/Q2XS5ZT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172911 ((S)-2-(3-Piperidin-1-yl-propyl)-9,9a-dihydro-imida...) Show SMILES Oc1c2Cc3ccccc3-n2c(=O)n1CCCN1CCCCC1 Show InChI InChI=1S/C18H23N3O2/c22-17-16-13-14-7-2-3-8-15(14)21(16)18(23)20(17)12-6-11-19-9-4-1-5-10-19/h2-3,7-8,22H,1,4-6,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...				Bioorg Med Chem Lett 15: 4833-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.040 BindingDB Entry DOI: 10.7270/Q2PN9553
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172915 ((S)-2-(2-Piperidin-1-yl-ethyl)-1,2,3,5,10,10a-hexa...) Show SMILES C(CN1CCCCC1)N1C[C@@H]2Cc3ccccc3CN2C1 Show InChI InChI=1S/C18H27N3/c1-4-8-19(9-5-1)10-11-20-14-18-12-16-6-2-3-7-17(16)13-21(18)15-20/h2-3,6-7,18H,1,4-5,8-15H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...				Bioorg Med Chem Lett 15: 4833-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.040 BindingDB Entry DOI: 10.7270/Q2PN9553
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM50197498 (CHEMBL220311 | N-hydroxy-2-isobutyl-N'-(4-phenyl-b...) Show SMILES CC(C)CC(C(=O)NO)C(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C17H26N2O3/c1-13(2)12-15(17(21)19-22)16(20)18-11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13,15,22H,6-7,10-12H2,1-2H3,(H,18,20)(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
University of Lille 2 Curated by ChEMBL					Assay Description Inhibition of microsomal neural aminopeptidase in pig kidney				Bioorg Med Chem 15: 63-76 (2006) Article DOI: 10.1016/j.bmc.2006.10.010 BindingDB Entry DOI: 10.7270/Q23F4P9V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172891 ((S)-2-[3-(1-Benzyl-piperidin-4-ylamino)-propyl]-10...) Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H32N4O2/c31-25-24-17-21-9-4-5-10-22(21)19-30(24)26(32)29(25)14-6-13-27-23-11-15-28(16-12-23)18-20-7-2-1-3-8-20/h1-5,7-10,23,27,31H,6,11-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82.3	n/a	n/a	n/a	n/a	7.5	n/a
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50172895 ((S)-2-[3-(4-Methyl-piperazin-1-yl)-propyl]-10,10a-...) Show SMILES CN1CCN(CCCn2c(O)c3Cc4ccccc4Cn3c2=O)CC1 Show InChI InChI=1S/C19H26N4O2/c1-20-9-11-21(12-10-20)7-4-8-22-18(24)17-13-15-5-2-3-6-16(15)14-23(17)19(22)25/h2-3,5-6,24H,4,7-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Université de Lille II Curated by ChEMBL					Assay Description Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...				Bioorg Med Chem Lett 15: 4828-32 (2005) Article DOI: 10.1016/j.bmcl.2005.07.039 BindingDB Entry DOI: 10.7270/Q2TD9WW1
					More data for this Ligand-Target Pair

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