Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'pedersen' and Initial = 'ds'   

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
Bifunctional ligase/repressor BirA (Staphylococcus aureus)	BDBM161472 (US9108978, 2.02) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/p-1/t10-,11+,12-,13-,15+,16+,19+/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	30	-44.7	203	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Staphylococcus aureus)	BDBM161468 (US9108978, 6.09) Show SMILES Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)c2c1 |r| Show InChI InChI=1S/C24H32N6O3S/c1-16-9-10-20-19(13-16)30(24(32)33-20)12-6-5-11-29-14-17(27-28-29)7-3-2-4-8-21-22-18(15-34-21)25-23(31)26-22/h9-10,13-14,18,21-22H,2-8,11-12,15H2,1H3,(H2,25,26,31)/t18-,21-,22-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	90	-41.8	530	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161472 (US9108978, 2.02) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/p-1/t10-,11+,12-,13-,15+,16+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	225	-39.5	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161472 (US9108978, 2.02) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/p-1/t10-,11+,12-,13-,15+,16+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	420	-37.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Staphylococcus aureus)	BDBM161470 (US9108978, 4.01) Show SMILES Nc1ncnc2n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cnc12 |r| Show InChI InChI=1S/C21H30N10OS/c22-19-18-20(24-12-23-19)30(13-25-18)8-4-5-9-31-10-14(28-29-31)6-2-1-3-7-16-17-15(11-33-16)26-21(32)27-17/h10,12-13,15-17H,1-9,11H2,(H2,22,23,24)(H2,26,27,32)/t15-,16-,17-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	660	-36.7	4.00E+3	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional ligase/repressor BirA (Staphylococcus aureus)	BDBM161469 (US9108978, 6.07) Show SMILES O=C1N[C@H]2CS[C@@H](CCCCCc3cn(CCCCOc4ccc5ccccc5c4)nn3)[C@H]2N1 |r| Show InChI InChI=1S/C26H33N5O2S/c32-26-27-23-18-34-24(25(23)28-26)11-3-1-2-10-21-17-31(30-29-21)14-6-7-15-33-22-13-12-19-8-4-5-9-20(19)16-22/h4-5,8-9,12-13,16-17,23-25H,1-3,6-7,10-11,14-15,18H2,(H2,27,28,32)/t23-,24-,25-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.17E+3	-35.2	7.00E+3	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Staphylococcus aureus)	BDBM161467 (US9108978, 3.25) Show SMILES CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15-,16-,17-,19-,20-,23-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.83E+3	-34.1	1.16E+4	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Staphylococcus aureus)	BDBM161471 (US9108978, 6.34) Show SMILES Cc1ccc2oc(=O)n(CCCCOP([O-])(=O)OCCCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2c1 |r| Show InChI InChI=1S/C22H32N3O7PS/c1-15-8-9-18-17(13-15)25(22(27)32-18)10-4-6-12-31-33(28,29)30-11-5-2-3-7-19-20-16(14-34-19)23-21(26)24-20/h8-9,13,16,19-20H,2-7,10-12,14H2,1H3,(H,28,29)(H2,23,24,26)/p-1/t16-,19-,20-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	>5.00E+4	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161470 (US9108978, 4.01) Show SMILES Nc1ncnc2n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cnc12 |r| Show InChI InChI=1S/C21H30N10OS/c22-19-18-20(24-12-23-19)30(13-25-18)8-4-5-9-31-10-14(28-29-31)6-2-1-3-7-16-17-15(11-33-16)26-21(32)27-17/h10,12-13,15-17H,1-9,11H2,(H2,22,23,24)(H2,26,27,32)/t15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161469 (US9108978, 6.07) Show SMILES O=C1N[C@H]2CS[C@@H](CCCCCc3cn(CCCCOc4ccc5ccccc5c4)nn3)[C@H]2N1 |r| Show InChI InChI=1S/C26H33N5O2S/c32-26-27-23-18-34-24(25(23)28-26)11-3-1-2-10-21-17-31(30-29-21)14-6-7-15-33-22-13-12-19-8-4-5-9-20(19)16-22/h4-5,8-9,12-13,16-17,23-25H,1-3,6-7,10-11,14-15,18H2,(H2,27,28,32)/t23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161468 (US9108978, 6.09) Show SMILES Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)c2c1 |r| Show InChI InChI=1S/C24H32N6O3S/c1-16-9-10-20-19(13-16)30(24(32)33-20)12-6-5-11-29-14-17(27-28-29)7-3-2-4-8-21-22-18(15-34-21)25-23(31)26-22/h9-10,13-14,18,21-22H,2-8,11-12,15H2,1H3,(H2,25,26,31)/t18-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161470 (US9108978, 4.01) Show SMILES Nc1ncnc2n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cnc12 |r| Show InChI InChI=1S/C21H30N10OS/c22-19-18-20(24-12-23-19)30(13-25-18)8-4-5-9-31-10-14(28-29-31)6-2-1-3-7-16-17-15(11-33-16)26-21(32)27-17/h10,12-13,15-17H,1-9,11H2,(H2,22,23,24)(H2,26,27,32)/t15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161469 (US9108978, 6.07) Show SMILES O=C1N[C@H]2CS[C@@H](CCCCCc3cn(CCCCOc4ccc5ccccc5c4)nn3)[C@H]2N1 |r| Show InChI InChI=1S/C26H33N5O2S/c32-26-27-23-18-34-24(25(23)28-26)11-3-1-2-10-21-17-31(30-29-21)14-6-7-15-33-22-13-12-19-8-4-5-9-20(19)16-22/h4-5,8-9,12-13,16-17,23-25H,1-3,6-7,10-11,14-15,18H2,(H2,27,28,32)/t23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161468 (US9108978, 6.09) Show SMILES Cc1ccc2oc(=O)n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)c2c1 |r| Show InChI InChI=1S/C24H32N6O3S/c1-16-9-10-20-19(13-16)30(24(32)33-20)12-6-5-11-29-14-17(27-28-29)7-3-2-4-8-21-22-18(15-34-21)25-23(31)26-22/h9-10,13-14,18,21-22H,2-8,11-12,15H2,1H3,(H2,25,26,31)/t18-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161467 (US9108978, 3.25) Show SMILES CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15-,16-,17-,19-,20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Bifunctional ligase/repressor BirA (Escherichia coli)	BDBM161467 (US9108978, 3.25) Show SMILES CC1(C)O[C@H]2[C@H](Cn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)O[C@@H]([C@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15-,16-,17-,19-,20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	8.0	37
Monash University; Adelaide Research & Innovation Pty Ltd US Patent					Assay Description Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...				US Patent US9108978 (2015) BindingDB Entry DOI: 10.7270/Q2T43RVW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359672 (CHEMBL1929262) Show SMILES CCCc1ccccc1OCC(O)COc1ccc(C=C2SC(S)=NC2=O)cc1 |w:19.19,c:24| Show InChI InChI=1S/C22H23NO4S2/c1-2-5-16-6-3-4-7-19(16)27-14-17(24)13-26-18-10-8-15(9-11-18)12-20-21(25)23-22(28)29-20/h3-4,6-12,17,24H,2,5,13-14H2,1H3,(H,23,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359675 (CHEMBL1929264) Show SMILES CCCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C=C2SC(O)=NC2=O)cc1 |r,w:27.28,c:33| Show InChI InChI=1S/C29H27N3O4S/c1-2-8-21-11-6-7-12-23(21)30-27(34)24(17-19-9-4-3-5-10-19)31-26(33)22-15-13-20(14-16-22)18-25-28(35)32-29(36)37-25/h3-7,9-16,18,24H,2,8,17H2,1H3,(H,30,34)(H,31,33)(H,32,35,36)/t24-/m0/s1	UniProtKB/SwissProt 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
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359680 (CHEMBL1929269) Show SMILES CCCc1ccccc1NC(=O)[C@H](COC(C)(C)C)NC(=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |r,w:26.26,c:31| Show InChI InChI=1S/C27H31N3O4S2/c1-5-8-18-9-6-7-10-20(18)28-24(32)21(16-34-27(2,3)4)29-23(31)19-13-11-17(12-14-19)15-22-25(33)30-26(35)36-22/h6-7,9-15,21H,5,8,16H2,1-4H3,(H,28,32)(H,29,31)(H,30,33,35)/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359683 (CHEMBL1929272) Show SMILES CCCc1ccccc1NC(=O)[C@H](COCc1ccccc1)NC(=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |r,w:29.30,c:35| Show InChI InChI=1S/C30H29N3O4S2/c1-2-8-22-11-6-7-12-24(22)31-28(35)25(19-37-18-21-9-4-3-5-10-21)32-27(34)23-15-13-20(14-16-23)17-26-29(36)33-30(38)39-26/h3-7,9-17,25H,2,8,18-19H2,1H3,(H,31,35)(H,32,34)(H,33,36,38)/t25-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359674 (CHEMBL1929263) Show SMILES CCCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |r,w:27.28,c:33| Show InChI InChI=1S/C29H27N3O3S2/c1-2-8-21-11-6-7-12-23(21)30-27(34)24(17-19-9-4-3-5-10-19)31-26(33)22-15-13-20(14-16-22)18-25-28(35)32-29(36)37-25/h3-7,9-16,18,24H,2,8,17H2,1H3,(H,30,34)(H,31,33)(H,32,35,36)/t24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359682 (CHEMBL1929271) Show SMILES CCCc1ccccc1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |r,w:28.29,c:34| Show InChI InChI=1S/C29H27N3O4S2/c1-2-5-20-6-3-4-7-23(20)30-27(35)24(16-18-10-14-22(33)15-11-18)31-26(34)21-12-8-19(9-13-21)17-25-28(36)32-29(37)38-25/h3-4,6-15,17,24,33H,2,5,16H2,1H3,(H,30,35)(H,31,34)(H,32,36,37)/t24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50326793 ((+/-)(1S,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-cyc...) Show SMILES N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C12H19NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h6-10H,1-5,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Antagonist activity at mGlu2 receptor expressed in CHO cells assessed as increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359681 (CHEMBL1929270) Show SMILES CCCc1ccccc1NC(=O)[C@H](COC(C)(C)C)NC(=O)c1ccc(C=C2SC(O)=NC2=O)cc1 |r,w:26.26,c:31| Show InChI InChI=1S/C27H31N3O5S/c1-5-8-18-9-6-7-10-20(18)28-24(32)21(16-35-27(2,3)4)29-23(31)19-13-11-17(12-14-19)15-22-25(33)30-26(34)36-22/h6-7,9-15,21H,5,8,16H2,1-4H3,(H,28,32)(H,29,31)(H,30,33,34)/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50092271 ((Z)-5-Benzylidene-2-thioxothiazolidin-4-one | (Z)-...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1| Show InChI InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359686 (CHEMBL85105) Show SMILES OC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1| Show InChI InChI=1S/C10H7NO2S/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359685 (CHEMBL1929274) Show SMILES OC(=O)c1ccc(C=C2SC(O)=NC2=O)cc1 |w:7.6,c:11| Show InChI InChI=1S/C11H7NO4S/c13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359684 (CHEMBL1929273) Show SMILES OC(=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:7.6,c:11| Show InChI InChI=1S/C11H7NO3S2/c13-9-8(17-11(16)12-9)5-6-1-3-7(4-2-6)10(14)15/h1-5H,(H,14,15)(H,12,13,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359679 (CHEMBL1929268) Show SMILES CCCc1ccccc1NC(=O)[C@H](CO)NC(=O)c1ccc(C=C2SC(O)=NC2=O)cc1 |r,w:22.22,c:27| Show InChI InChI=1S/C23H23N3O5S/c1-2-5-15-6-3-4-7-17(15)24-21(29)18(13-27)25-20(28)16-10-8-14(9-11-16)12-19-22(30)26-23(31)32-19/h3-4,6-12,18,27H,2,5,13H2,1H3,(H,24,29)(H,25,28)(H,26,30,31)/t18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359678 (CHEMBL1929267) Show SMILES CCCc1ccccc1NC(=O)[C@H](CO)NC(=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |r,w:22.22,c:27| Show InChI InChI=1S/C23H23N3O4S2/c1-2-5-15-6-3-4-7-17(15)24-21(29)18(13-27)25-20(28)16-10-8-14(9-11-16)12-19-22(30)26-23(31)32-19/h3-4,6-12,18,27H,2,5,13H2,1H3,(H,24,29)(H,25,28)(H,26,30,31)/t18-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359677 (CHEMBL1929266) Show SMILES CCCc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccc(C=C2SC(O)=NC2=O)cc1 |r,w:21.21,c:26| Show InChI InChI=1S/C23H23N3O4S/c1-3-6-16-7-4-5-8-18(16)25-20(27)14(2)24-21(28)17-11-9-15(10-12-17)13-19-22(29)26-23(30)31-19/h4-5,7-14H,3,6H2,1-2H3,(H,24,28)(H,25,27)(H,26,29,30)/t14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359676 (CHEMBL1929265) Show SMILES CCCc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |r,w:21.21,c:26| Show InChI InChI=1S/C23H23N3O3S2/c1-3-6-16-7-4-5-8-18(16)25-20(27)14(2)24-21(28)17-11-9-15(10-12-17)13-19-22(29)26-23(30)31-19/h4-5,7-14H,3,6H2,1-2H3,(H,24,28)(H,25,27)(H,26,29,30)/t14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359673 (CHEMBL338214) Show SMILES CCCc1ccccc1OCC(O)COc1ccc(C=C2SC(O)=NC2=O)cc1 |w:19.19,c:24| Show InChI InChI=1S/C22H23NO5S/c1-2-5-16-6-3-4-7-19(16)28-14-17(24)13-27-18-10-8-15(9-11-18)12-20-21(25)23-22(26)29-20/h3-4,6-12,17,24H,2,5,13-14H2,1H3,(H,23,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry				Bioorg Med Chem 19: 7453-63 (2011) Article DOI: 10.1016/j.bmc.2011.10.042 BindingDB Entry DOI: 10.7270/Q2WQ0468
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50331747 ((S)-2-amino-3-(1-((S)-1-carboxy-2-phenylethyl)-1H-...) Show SMILES N[C@@H](Cc1cn(nn1)[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H16N4O4/c15-11(13(19)20)7-10-8-18(17-16-10)12(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,15H2,(H,19,20)(H,21,22)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Binding affinity at mGluR4 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins				Bioorg Med Chem Lett 20: 7512-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.139 BindingDB Entry DOI: 10.7270/Q2K64J94
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50326793 ((+/-)(1S,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-cyc...) Show SMILES N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C12H19NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h6-10H,1-5,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu4 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50326794 ((+/-)(1R,2S,3S)-3-[(S)-amino(carboxy)-methyl]-1,10...) Show SMILES N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H13NO4/c10-7(9(13)14)5-4(3-1-2-3)6(5)8(11)12/h3-7H,1-2,10H2,(H,11,12)(H,13,14)/t4-,5+,6+,7+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu4 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50326794 ((+/-)(1R,2S,3S)-3-[(S)-amino(carboxy)-methyl]-1,10...) Show SMILES N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H13NO4/c10-7(9(13)14)5-4(3-1-2-3)6(5)8(11)12/h3-7H,1-2,10H2,(H,11,12)(H,13,14)/t4-,5+,6+,7+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu1 receptor expressed in CHO cells assessed as myo-[2-3H]Inositol turnover by scintillation counting				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50138781 ((1S,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-methyl-c...) Show SMILES C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O Show InChI InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu4 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50326794 ((+/-)(1R,2S,3S)-3-[(S)-amino(carboxy)-methyl]-1,10...) Show SMILES N[C@@H]([C@H]1[C@@H](C2CC2)[C@@H]1C(O)=O)C(O)=O |r| Show InChI InChI=1S/C9H13NO4/c10-7(9(13)14)5-4(3-1-2-3)6(5)8(11)12/h3-7H,1-2,10H2,(H,11,12)(H,13,14)/t4-,5+,6+,7+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>50	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50138781 ((1S,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-methyl-c...) Show SMILES C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O Show InChI InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>10	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50138781 ((1S,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-methyl-c...) Show SMILES C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O Show InChI InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu1 receptor expressed in CHO cells assessed as myo-[2-3H]Inositol turnover by scintillation counting				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50326793 ((+/-)(1S,2S,3R)-2-[(S)-Amino(carboxy)methyl]-3-cyc...) Show SMILES N[C@@H]([C@H]1[C@H]([C@@H]1C(O)=O)C1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C12H19NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h6-10H,1-5,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Agonist activity at mGlu1 receptor expressed in CHO cells assessed as myo-[2-3H]Inositol turnover by scintillation counting				Bioorg Med Chem 18: 6089-98 (2010) Article DOI: 10.1016/j.bmc.2010.06.051 BindingDB Entry DOI: 10.7270/Q2C24WNH
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50331746 ((S)-2-amino-3-(1-(carboxymethyl)-1H-1,2,3-triazol-...) Show SMILES N[C@@H](Cc1cnnn1CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-9-10-11(4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)/t5-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Binding affinity at mGluR4 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins				Bioorg Med Chem Lett 20: 7512-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.139 BindingDB Entry DOI: 10.7270/Q2K64J94
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50331745 ((S)-2-amino-3-(1-((S)-1-carboxy-2-phenylethyl)-1H-...) Show SMILES N[C@@H](Cc1cnnn1[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H16N4O4/c15-11(13(19)20)7-10-8-16-17-18(10)12(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,15H2,(H,19,20)(H,21,22)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Binding affinity at mGluR4 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins				Bioorg Med Chem Lett 20: 7512-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.139 BindingDB Entry DOI: 10.7270/Q2K64J94
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50331744 ((S)-1-(2-amino-2-carboxyethyl)-1H-1,2,3-triazole-4...) Show SMILES N[C@@H](Cn1cc(nn1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H8N4O4/c7-3(5(11)12)1-10-2-4(6(13)14)8-9-10/h2-3H,1,7H2,(H,11,12)(H,13,14)/t3-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Binding affinity at mGluR4 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins				Bioorg Med Chem Lett 20: 7512-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.139 BindingDB Entry DOI: 10.7270/Q2K64J94
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50331748 ((S)-2-amino-3-(1-(carboxymethyl)-1H-1,2,3-triazol-...) Show SMILES N[C@@H](Cc1cn(CC(O)=O)nn1)C(O)=O |r| Show InChI InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-11(10-9-4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)/t5-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Binding affinity at mGluR2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins				Bioorg Med Chem Lett 20: 7512-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.139 BindingDB Entry DOI: 10.7270/Q2K64J94
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50331747 ((S)-2-amino-3-(1-((S)-1-carboxy-2-phenylethyl)-1H-...) Show SMILES N[C@@H](Cc1cn(nn1)[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H16N4O4/c15-11(13(19)20)7-10-8-18(17-16-10)12(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,15H2,(H,19,20)(H,21,22)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Binding affinity at mGluR2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins				Bioorg Med Chem Lett 20: 7512-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.139 BindingDB Entry DOI: 10.7270/Q2K64J94
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50331746 ((S)-2-amino-3-(1-(carboxymethyl)-1H-1,2,3-triazol-...) Show SMILES N[C@@H](Cc1cnnn1CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-9-10-11(4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)/t5-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Binding affinity at mGluR2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins				Bioorg Med Chem Lett 20: 7512-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.139 BindingDB Entry DOI: 10.7270/Q2K64J94
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50331745 ((S)-2-amino-3-(1-((S)-1-carboxy-2-phenylethyl)-1H-...) Show SMILES N[C@@H](Cc1cnnn1[C@@H](Cc1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H16N4O4/c15-11(13(19)20)7-10-8-16-17-18(10)12(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,15H2,(H,19,20)(H,21,22)/t11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Binding affinity at mGluR2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins				Bioorg Med Chem Lett 20: 7512-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.139 BindingDB Entry DOI: 10.7270/Q2K64J94
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50331744 ((S)-1-(2-amino-2-carboxyethyl)-1H-1,2,3-triazole-4...) Show SMILES N[C@@H](Cn1cc(nn1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H8N4O4/c7-3(5(11)12)1-10-2-4(6(13)14)8-9-10/h2-3H,1,7H2,(H,11,12)(H,13,14)/t3-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
The University of Adelaide Curated by ChEMBL					Assay Description Binding affinity at mGluR2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins				Bioorg Med Chem Lett 20: 7512-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.139 BindingDB Entry DOI: 10.7270/Q2K64J94
					More data for this Ligand-Target Pair

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