Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'thygesen' and Initial = 'mb'   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50232153 ((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...) Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0300	-55.8	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM139371 (eplivanserin) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15| Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.0460	-54.8	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0830	-53.5	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.440	-49.6	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM139370 (ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...) Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	-49.1	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	-47.1	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM139371 (eplivanserin) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15| Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.30	-47.1	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM139370 (ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...) Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	1.60	-46.7	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50232153 ((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...) Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80	-44.7	n/a	n/a	n/a	n/a	n/a	n/a	4
ACADIA Pharmaceuticals Inc.					Assay Description For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0690	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM139371 (eplivanserin) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15| Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50232153 ((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...) Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM139370 (ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...) Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50001775 ((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...) Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM139370 (ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...) Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50232153 ((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...) Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals Inc.					Assay Description R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...				J Pharmacol Exp Ther 317: 910-8 (2006) Article DOI: 10.1124/jpet.105.097006 BindingDB Entry DOI: 10.7270/Q269728N
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50240819 (CHEMBL4084119) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0670	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50121394 (CHEMBL3616711) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C151H228N42O47/c1-17-76(10)120(147(238)171-80(14)126(217)179-104(59-86-62-162-91-35-25-24-34-89(86)91)137(228)181-100(55-73(4)5)138(229)190-118(74(6)7)145(236)178-93(38-29-53-161-151(157)158)129(220)163-64-110(201)172-92(37-28-52-160-150(155)156)128(219)166-67-117(212)213)192-139(230)102(56-83-30-20-18-21-31-83)182-134(225)98(46-50-115(208)209)177-133(224)94(36-26-27-51-152)174-124(215)78(12)168-123(214)77(11)170-132(223)97(43-47-109(154)200)173-111(202)65-164-131(222)96(45-49-114(206)207)176-135(226)99(54-72(2)3)180-136(227)101(58-85-39-41-88(199)42-40-85)183-142(233)106(68-194)186-144(235)108(70-196)187-146(237)119(75(8)9)191-141(232)105(61-116(210)211)184-143(234)107(69-195)188-149(240)122(82(16)198)193-140(231)103(57-84-32-22-19-23-33-84)185-148(239)121(81(15)197)189-112(203)66-165-130(221)95(44-48-113(204)205)175-125(216)79(13)169-127(218)90(153)60-87-63-159-71-167-87/h18-25,30-35,39-42,62-63,71-82,90,92-108,118-122,162,194-199H,17,26-29,36-38,43-61,64-70,152-153H2,1-16H3,(H2,154,200)(H,159,167)(H,163,220)(H,164,222)(H,165,221)(H,166,219)(H,168,214)(H,169,218)(H,170,223)(H,171,238)(H,172,201)(H,173,202)(H,174,215)(H,175,216)(H,176,226)(H,177,224)(H,178,236)(H,179,217)(H,180,227)(H,181,228)(H,182,225)(H,183,233)(H,184,234)(H,185,239)(H,186,235)(H,187,237)(H,188,240)(H,189,203)(H,190,229)(H,191,232)(H,192,230)(H,193,231)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H4,155,156,160)(H4,157,158,161)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,118-,119-,120-,121-,122-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0230	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50152769 (CHEMBL410972 | GLP-1(7-36)-NH2 | GLP-17-(7-36) der...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:156.159,142.150,134.137,164.169,119.121,167.172,105.111,95.99,77.87,60.66,47.53,37.38,19.25,4.4,181.184,203.208,wD:151.154,123.133,113.117,101.103,89.93,69.74,42.43,28.34,8.16,2.2,176.180,195.200,210.215,223.228,(82.22,1.34,;82.22,-.2,;83.55,-.98,;84.89,-.21,;83.55,-2.52,;82.22,-3.29,;80.88,-2.53,;80.88,-.98,;79.55,-3.29,;79.55,-4.83,;80.88,-5.61,;82.22,-4.83,;83.55,-5.6,;83.56,-7.14,;82.23,-7.91,;80.89,-7.15,;78.21,-2.53,;76.87,-3.3,;76.87,-4.84,;75.55,-2.53,;75.55,-.99,;76.87,-.21,;76.87,1.33,;75.55,2.1,;78.21,2.09,;74.21,-3.3,;72.88,-2.53,;72.88,-.99,;71.54,-3.3,;71.54,-4.84,;72.88,-5.62,;72.88,-7.16,;74.21,-7.92,;74.21,-9.46,;70.2,-2.54,;68.87,-3.31,;68.87,-4.84,;67.53,-2.54,;67.53,-1,;66.21,-3.31,;64.87,-2.54,;64.87,-1,;63.53,-3.31,;63.53,-4.85,;62.2,-2.55,;60.86,-3.32,;60.86,-4.85,;59.53,-2.55,;59.53,-1.01,;60.86,-.23,;60.86,1.31,;59.52,2.08,;62.19,2.08,;58.19,-3.32,;56.86,-2.55,;56.86,-1.01,;55.53,-3.32,;54.19,-2.56,;52.86,-3.32,;52.86,-4.86,;51.52,-2.56,;51.52,-1.01,;52.86,-.24,;52.86,1.3,;51.51,2.07,;54.18,2.07,;50.19,-3.33,;48.85,-2.56,;48.85,-1.02,;47.51,-3.33,;47.51,-4.87,;48.85,-5.64,;48.85,-7.18,;50.19,-4.87,;46.18,-2.56,;44.85,-3.33,;44.85,-4.87,;43.52,-2.57,;43.52,-1.02,;44.85,-.25,;46.18,-1.02,;47.51,-.24,;47.5,1.3,;48.84,2.06,;46.17,2.06,;44.84,1.29,;42.18,-3.34,;40.84,-2.57,;40.84,-1.03,;39.51,-3.34,;39.51,-4.88,;40.84,-5.65,;38.17,-2.57,;36.84,-3.34,;36.84,-4.88,;35.5,-2.58,;35.5,-1.03,;36.84,-.26,;34.17,-3.35,;32.84,-2.58,;32.84,-1.04,;31.49,-3.35,;30.17,-2.58,;28.82,-3.35,;28.82,-4.89,;27.5,-2.59,;27.5,-1.04,;28.82,-.27,;30.16,-1.04,;28.82,1.28,;26.15,-3.36,;24.83,-2.6,;24.83,-1.05,;23.49,-3.37,;23.49,-4.9,;24.83,-5.68,;22.16,-2.6,;20.82,-3.37,;20.82,-4.91,;19.49,-2.6,;18.14,-3.37,;16.82,-2.61,;16.82,-1.06,;15.47,-3.37,;15.47,-4.91,;16.82,-5.69,;18.15,-4.91,;19.49,-5.68,;19.49,-7.22,;18.15,-7.99,;16.82,-7.23,;14.15,-2.61,;12.81,-3.38,;12.81,-4.92,;11.48,-2.61,;10.14,-3.38,;8.81,-2.62,;8.81,-1.07,;7.47,-3.38,;6.14,-2.62,;4.79,-3.39,;4.79,-4.92,;3.47,-2.62,;3.47,-1.08,;4.79,-.3,;4.79,1.24,;3.47,2.01,;6.13,2.01,;2.13,-3.39,;.8,-2.62,;.8,-1.08,;-.54,-3.39,;-.54,-4.93,;-1.87,-2.63,;-3.21,-3.39,;-3.21,-4.93,;-4.55,-2.63,;-5.87,-3.39,;-4.55,-1.09,;-3.21,-.31,;-1.8,-.94,;-.77,.21,;-1.55,1.55,;-3.05,1.22,;11.48,-1.07,;10.14,-.29,;12.81,-.3,;19.49,-1.05,;18.14,-.28,;20.82,-.28,;31.49,-4.89,;32.84,-5.66,;30.17,-5.66,;84.89,-3.29,;84.89,-4.83,;86.23,-2.52,;87.55,-3.28,;87.55,-4.82,;88.89,-2.52,;88.89,-.96,;90.22,-3.28,;91.56,-2.51,;91.56,-.96,;92.89,-.19,;94.3,-.81,;95.34,.33,;94.56,1.66,;95.03,3.13,;94,4.28,;92.5,3.96,;92.02,2.49,;93.05,1.35,;92.89,-3.28,;92.89,-4.81,;94.23,-2.51,;95.57,-3.27,;95.57,-4.81,;96.9,-5.58,;96.9,-7.12,;98.24,-4.81,;96.9,-2.5,;96.9,-.96,;98.23,-3.26,;99.57,-2.5,;99.57,-.95,;100.9,-.18,;98.23,-.18,;100.9,-3.26,;100.9,-4.8,;102.24,-2.49,;103.57,-3.26,;103.57,-4.8,;104.91,-5.57,;104.91,-7.11,;106.25,-7.88,;106.25,-9.42,;104.91,-2.49,;104.91,-.95,;106.24,-3.26,;107.58,-2.49,;108.91,-3.25,;108.91,-4.79,;110.25,-2.48,;111.58,-3.25,;111.58,-4.79,;112.92,-5.56,;112.92,-7.1,;114.26,-7.87,;114.26,-9.41,;112.92,-10.18,;115.6,-10.18,;112.92,-2.48,;114.25,-3.25,;112.92,-.94,)| Show InChI InChI=1S/C149H226N40O45/c1-17-76(10)119(146(232)167-80(14)126(212)175-104(60-86-63-159-91-36-25-24-35-89(86)91)136(222)177-100(56-73(4)5)137(223)186-117(74(6)7)144(230)174-93(37-26-28-52-150)128(214)160-65-110(197)168-92(122(154)208)39-30-54-158-149(155)156)188-138(224)102(57-83-31-20-18-21-32-83)178-133(219)98(47-51-115(204)205)173-132(218)94(38-27-29-53-151)170-124(210)78(12)164-123(209)77(11)166-131(217)97(44-48-109(153)196)169-111(198)66-161-130(216)96(46-50-114(202)203)172-134(220)99(55-72(2)3)176-135(221)101(59-85-40-42-88(195)43-41-85)179-141(227)106(68-190)182-143(229)108(70-192)183-145(231)118(75(8)9)187-140(226)105(62-116(206)207)180-142(228)107(69-191)184-148(234)121(82(16)194)189-139(225)103(58-84-33-22-19-23-34-84)181-147(233)120(81(15)193)185-112(199)67-162-129(215)95(45-49-113(200)201)171-125(211)79(13)165-127(213)90(152)61-87-64-157-71-163-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,159,190-195H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,196)(H2,154,208)(H,157,163)(H,160,214)(H,161,216)(H,162,215)(H,164,209)(H,165,213)(H,166,217)(H,167,232)(H,168,197)(H,169,198)(H,170,210)(H,171,211)(H,172,220)(H,173,218)(H,174,230)(H,175,212)(H,176,221)(H,177,222)(H,178,219)(H,179,227)(H,180,228)(H,181,233)(H,182,229)(H,183,231)(H,184,234)(H,185,199)(H,186,223)(H,187,226)(H,188,224)(H,189,225)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,158)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0440	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50240820 (CHEMBL4073765) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C175H249ClN44O53/c1-19-88(10)142(169(267)196-92(14)148(246)205-123(69-100-74-187-109-37-27-26-36-105(100)109)159(257)207-119(65-85(4)5)160(258)216-140(86(6)7)167(265)204-111(40-31-63-186-175(181)182)151(249)188-76-132(230)197-110(39-30-62-185-174(179)180)150(248)191-79-139(241)242)218-161(259)121(66-96-32-22-20-23-33-96)208-156(254)116(54-60-137(237)238)203-155(253)112(38-28-29-61-184-130(228)57-51-117(173(271)272)199-131(229)72-106-93(15)220(128-55-49-104(273-18)71-107(106)128)172(270)99-43-45-101(176)46-44-99)200-146(244)90(12)193-145(243)89(11)195-154(252)115(50-56-129(178)227)198-133(231)77-189-153(251)114(53-59-136(235)236)202-157(255)118(64-84(2)3)206-158(256)120(68-98-41-47-103(226)48-42-98)209-164(262)125(80-221)212-166(264)127(82-223)213-168(266)141(87(8)9)217-163(261)124(73-138(239)240)210-165(263)126(81-222)214-171(269)144(95(17)225)219-162(260)122(67-97-34-24-21-25-35-97)211-170(268)143(94(16)224)215-134(232)78-190-152(250)113(52-58-135(233)234)201-147(245)91(13)194-149(247)108(177)70-102-75-183-83-192-102/h20-27,32-37,41-49,55,71,74-75,83-92,94-95,108,110-127,140-144,187,221-226H,19,28-31,38-40,50-54,56-70,72-73,76-82,177H2,1-18H3,(H2,178,227)(H,183,192)(H,184,228)(H,188,249)(H,189,251)(H,190,250)(H,191,248)(H,193,243)(H,194,247)(H,195,252)(H,196,267)(H,197,230)(H,198,231)(H,199,229)(H,200,244)(H,201,245)(H,202,255)(H,203,253)(H,204,265)(H,205,246)(H,206,256)(H,207,257)(H,208,254)(H,209,262)(H,210,263)(H,211,268)(H,212,264)(H,213,266)(H,214,269)(H,215,232)(H,216,258)(H,217,261)(H,218,259)(H,219,260)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,271,272)(H4,179,180,185)(H4,181,182,186)/t88-,89-,90-,91-,92-,94+,95+,108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,140-,141-,142-,143-,144-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0680	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50240821 (CHEMBL4100575) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C172H247F2N43O54/c1-17-88(10)140(167(264)195-92(14)146(243)203-121(68-99-72-186-108-35-25-24-34-104(99)108)157(254)205-117(63-85(4)5)158(255)214-138(86(6)7)165(262)202-110(38-29-57-185-172(179)180)149(246)187-74-128(225)196-109(37-28-56-184-171(177)178)148(245)190-77-137(238)239)216-159(256)119(64-95-30-20-18-21-31-95)206-154(251)115(49-54-135(234)235)201-153(250)111(36-26-27-55-182-131(228)81-270-61-60-269-59-58-183-132(229)82-271-126-50-41-98(67-105(126)170(267)268)103-45-42-100(173)69-106(103)174)198-144(241)90(12)192-143(240)89(11)194-152(249)114(46-51-127(176)224)197-129(226)75-188-151(248)113(48-53-134(232)233)200-155(252)116(62-84(2)3)204-156(253)118(66-97-39-43-102(223)44-40-97)207-162(259)123(78-218)210-164(261)125(80-220)211-166(263)139(87(8)9)215-161(258)122(71-136(236)237)208-163(260)124(79-219)212-169(266)142(94(16)222)217-160(257)120(65-96-32-22-19-23-33-96)209-168(265)141(93(15)221)213-130(227)76-189-150(247)112(47-52-133(230)231)199-145(242)91(13)193-147(244)107(175)70-101-73-181-83-191-101/h18-25,30-35,39-45,50,67,69,72-73,83-94,107,109-125,138-142,186,218-223H,17,26-29,36-38,46-49,51-66,68,70-71,74-82,175H2,1-16H3,(H2,176,224)(H,181,191)(H,182,228)(H,183,229)(H,187,246)(H,188,248)(H,189,247)(H,190,245)(H,192,240)(H,193,244)(H,194,249)(H,195,264)(H,196,225)(H,197,226)(H,198,241)(H,199,242)(H,200,252)(H,201,250)(H,202,262)(H,203,243)(H,204,253)(H,205,254)(H,206,251)(H,207,259)(H,208,260)(H,209,265)(H,210,261)(H,211,263)(H,212,266)(H,213,227)(H,214,255)(H,215,258)(H,216,256)(H,217,257)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,267,268)(H4,177,178,184)(H4,179,180,185)/t88-,89-,90-,91-,92-,93+,94+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,138-,139-,140-,141-,142-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.221	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50240822 (CHEMBL4079706) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C195H267ClF2N46O58/c1-19-98(10)160(188(293)219-102(14)166(271)229-139(77-111-83-210-124-38-27-26-37-118(111)124)178(283)231-135(72-95(4)5)179(284)240-158(96(6)7)186(291)228-127(42-32-70-209-195(203)204)170(275)211-85-149(254)221-126(41-31-69-208-194(201)202)169(274)214-88-157(266)267)242-180(285)137(73-106-33-22-20-23-34-106)232-175(280)132(59-66-155(262)263)227-174(279)128(39-28-29-67-207-168(273)125(40-30-68-206-152(257)92-302-145-61-47-110(76-121(145)192(297)298)117-54-50-113(197)78-122(117)198)220-147(252)63-56-133(193(299)300)223-148(253)81-119-103(15)244(144-60-53-116(301-18)80-120(119)144)191(296)109-45-48-112(196)49-46-109)224-164(269)100(12)216-163(268)99(11)218-173(278)131(55-62-146(200)251)222-150(255)86-212-172(277)130(58-65-154(260)261)226-176(281)134(71-94(2)3)230-177(282)136(75-108-43-51-115(250)52-44-108)233-183(288)141(89-245)236-185(290)143(91-247)237-187(292)159(97(8)9)241-182(287)140(82-156(264)265)234-184(289)142(90-246)238-190(295)162(105(17)249)243-181(286)138(74-107-35-24-21-25-36-107)235-189(294)161(104(16)248)239-151(256)87-213-171(276)129(57-64-153(258)259)225-165(270)101(13)217-167(272)123(199)79-114-84-205-93-215-114/h20-27,33-38,43-54,60-61,76,78,80,83-84,93-102,104-105,123,125-143,158-162,210,245-250H,19,28-32,39-42,55-59,62-75,77,79,81-82,85-92,199H2,1-18H3,(H2,200,251)(H,205,215)(H,206,257)(H,207,273)(H,211,275)(H,212,277)(H,213,276)(H,214,274)(H,216,268)(H,217,272)(H,218,278)(H,219,293)(H,220,252)(H,221,254)(H,222,255)(H,223,253)(H,224,269)(H,225,270)(H,226,281)(H,227,279)(H,228,291)(H,229,271)(H,230,282)(H,231,283)(H,232,280)(H,233,288)(H,234,289)(H,235,294)(H,236,290)(H,237,292)(H,238,295)(H,239,256)(H,240,284)(H,241,287)(H,242,285)(H,243,286)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,297,298)(H,299,300)(H4,201,202,208)(H4,203,204,209)/t98-,99-,100-,101-,102-,104+,105+,123-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,158-,159-,160-,161-,162-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.547	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50240823 (CHEMBL4083273) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C166H238N42O51/c1-17-85(10)134(161(254)186-89(14)140(233)194-116(67-97-70-177-103-40-28-27-39-100(97)103)151(244)196-112(62-82(4)5)152(245)205-132(83(6)7)159(252)193-105(43-32-60-176-166(171)172)143(236)178-72-123(216)187-104(42-31-59-175-165(169)170)142(235)181-75-131(228)229)207-153(246)114(63-92-33-21-18-22-34-92)197-148(241)110(52-57-129(224)225)192-147(240)106(41-29-30-58-174-126(219)79-259-121-53-46-96(66-101(121)164(257)258)95-37-25-20-26-38-95)189-138(231)87(12)183-137(230)86(11)185-146(239)109(49-54-122(168)215)188-124(217)73-179-145(238)108(51-56-128(222)223)191-149(242)111(61-81(2)3)195-150(243)113(65-94-44-47-99(214)48-45-94)198-156(249)118(76-209)201-158(251)120(78-211)202-160(253)133(84(8)9)206-155(248)117(69-130(226)227)199-157(250)119(77-210)203-163(256)136(91(16)213)208-154(247)115(64-93-35-23-19-24-36-93)200-162(255)135(90(15)212)204-125(218)74-180-144(237)107(50-55-127(220)221)190-139(232)88(13)184-141(234)102(167)68-98-71-173-80-182-98/h18-28,33-40,44-48,53,66,70-71,80-91,102,104-120,132-136,177,209-214H,17,29-32,41-43,49-52,54-65,67-69,72-79,167H2,1-16H3,(H2,168,215)(H,173,182)(H,174,219)(H,178,236)(H,179,238)(H,180,237)(H,181,235)(H,183,230)(H,184,234)(H,185,239)(H,186,254)(H,187,216)(H,188,217)(H,189,231)(H,190,232)(H,191,242)(H,192,240)(H,193,252)(H,194,233)(H,195,243)(H,196,244)(H,197,241)(H,198,249)(H,199,250)(H,200,255)(H,201,251)(H,202,253)(H,203,256)(H,204,218)(H,205,245)(H,206,248)(H,207,246)(H,208,247)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,257,258)(H4,169,170,175)(H4,171,172,176)/t85-,86-,87-,88-,89-,90+,91+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,132-,133-,134-,135-,136-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.118	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM50240510 (CHEMBL898 | DIFLUNISAL) Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to human serum albumin				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50240824 (CHEMBL4062410) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C166H236F2N42O51/c1-17-83(10)134(161(256)188-87(14)140(235)196-116(64-94-68-179-103-35-25-24-34-99(94)103)151(246)198-112(59-80(4)5)152(247)207-132(81(6)7)159(254)195-105(38-29-57-178-166(173)174)143(238)180-70-123(218)189-104(37-28-56-177-165(171)172)142(237)183-73-131(230)231)209-153(248)114(60-90-30-20-18-21-31-90)199-148(243)110(49-54-129(226)227)194-147(242)106(36-26-27-55-176-126(221)77-261-121-50-41-93(63-100(121)164(259)260)98-45-42-95(167)65-101(98)168)191-138(233)85(12)185-137(232)84(11)187-146(241)109(46-51-122(170)217)190-124(219)71-181-145(240)108(48-53-128(224)225)193-149(244)111(58-79(2)3)197-150(245)113(62-92-39-43-97(216)44-40-92)200-156(251)118(74-211)203-158(253)120(76-213)204-160(255)133(82(8)9)208-155(250)117(67-130(228)229)201-157(252)119(75-212)205-163(258)136(89(16)215)210-154(249)115(61-91-32-22-19-23-33-91)202-162(257)135(88(15)214)206-125(220)72-182-144(239)107(47-52-127(222)223)192-139(234)86(13)186-141(236)102(169)66-96-69-175-78-184-96/h18-25,30-35,39-45,50,63,65,68-69,78-89,102,104-120,132-136,179,211-216H,17,26-29,36-38,46-49,51-62,64,66-67,70-77,169H2,1-16H3,(H2,170,217)(H,175,184)(H,176,221)(H,180,238)(H,181,240)(H,182,239)(H,183,237)(H,185,232)(H,186,236)(H,187,241)(H,188,256)(H,189,218)(H,190,219)(H,191,233)(H,192,234)(H,193,244)(H,194,242)(H,195,254)(H,196,235)(H,197,245)(H,198,246)(H,199,243)(H,200,251)(H,201,252)(H,202,257)(H,203,253)(H,204,255)(H,205,258)(H,206,220)(H,207,247)(H,208,250)(H,209,248)(H,210,249)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,259,260)(H4,171,172,177)(H4,173,174,178)/t83-,84-,85-,86-,87-,88+,89+,102-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,132-,133-,134-,135-,136-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.148	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50240825 (CHEMBL4103967) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(=O)COc1ccc(cc1C(O)=O)-c1ccc(F)cc1F)NC(=O)CC[C@H](NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C201H278ClF2N47O61/c1-19-103(10)166(194(301)226-107(14)172(279)236-144(81-116-87-217-129-38-27-26-37-123(116)129)184(291)238-140(76-100(4)5)185(292)247-164(101(6)7)192(299)235-132(42-32-70-216-201(209)210)176(283)218-89-154(261)228-131(41-31-69-215-200(207)208)175(282)221-92-163(274)275)249-186(293)142(77-111-33-22-20-23-34-111)239-181(288)137(59-66-161(270)271)234-180(287)133(39-28-29-67-212-157(264)96-311-74-73-310-72-71-214-174(281)130(40-30-68-213-158(265)97-312-150-61-47-115(80-126(150)198(305)306)122-54-50-118(203)82-127(122)204)227-152(259)63-56-138(199(307)308)230-153(260)85-124-108(15)251(149-60-53-121(309-18)84-125(124)149)197(304)114-45-48-117(202)49-46-114)231-170(277)105(12)223-169(276)104(11)225-179(286)136(55-62-151(206)258)229-155(262)90-219-178(285)135(58-65-160(268)269)233-182(289)139(75-99(2)3)237-183(290)141(79-113-43-51-120(257)52-44-113)240-189(296)146(93-252)243-191(298)148(95-254)244-193(300)165(102(8)9)248-188(295)145(86-162(272)273)241-190(297)147(94-253)245-196(303)168(110(17)256)250-187(294)143(78-112-35-24-21-25-36-112)242-195(302)167(109(16)255)246-156(263)91-220-177(284)134(57-64-159(266)267)232-171(278)106(13)224-173(280)128(205)83-119-88-211-98-222-119/h20-27,33-38,43-54,60-61,80,82,84,87-88,98-107,109-110,128,130-148,164-168,217,252-257H,19,28-32,39-42,55-59,62-79,81,83,85-86,89-97,205H2,1-18H3,(H2,206,258)(H,211,222)(H,212,264)(H,213,265)(H,214,281)(H,218,283)(H,219,285)(H,220,284)(H,221,282)(H,223,276)(H,224,280)(H,225,286)(H,226,301)(H,227,259)(H,228,261)(H,229,262)(H,230,260)(H,231,277)(H,232,278)(H,233,289)(H,234,287)(H,235,299)(H,236,279)(H,237,290)(H,238,291)(H,239,288)(H,240,296)(H,241,297)(H,242,302)(H,243,298)(H,244,300)(H,245,303)(H,246,263)(H,247,292)(H,248,295)(H,249,293)(H,250,294)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,305,306)(H,307,308)(H4,207,208,215)(H4,209,210,216)/t103-,104-,105-,106-,107-,109+,110+,128-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,164-,165-,166-,167-,168-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.522	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP le...				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50415088 (CHEMBL577196) Show SMILES OC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.58	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in human MDA-KB2 cells transfected with MMTV linked luciferase assessed as transcriptional activation by lucife...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415100 (CHEMBL570413) Show SMILES CC(C)C1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:1:3:11:7.8| Show InChI InChI=1S/C21H24N2O/c1-14(2)21(24)11-16-8-9-17(12-21)23(16)20-10-7-15(13-22)18-5-3-4-6-19(18)20/h3-7,10,14,16-17,24H,8-9,11-12H2,1-2H3/t16-,17-/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	n/a	n/a	5.01	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415099 (CHEMBL569985) Show SMILES CCCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:2:3:11:7.8| Show InChI InChI=1S/C21H24N2O/c1-2-11-21(24)12-16-8-9-17(13-21)23(16)20-10-7-15(14-22)18-5-3-4-6-19(18)20/h3-7,10,16-17,24H,2,8-9,11-13H2,1H3/t16-,17-/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	n/a	n/a	15.8	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415098 (CHEMBL570898) Show SMILES N#Cc1ccc(N2CCCC2)c2ccccc12 Show InChI InChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415097 (CHEMBL570897) Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12 Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.31	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415096 (CHEMBL568814) Show SMILES CCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:3:2:10:6.7,11:10:2.4.9:6.7,THB:1:2:10:6.7| Show InChI InChI=1S/C20H22N2O/c1-2-20(23)11-15-8-9-16(12-20)22(15)19-10-7-14(13-21)17-5-3-4-6-18(17)19/h3-7,10,15-16,23H,2,8-9,11-12H2,1H3/t15-,16-/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	n/a	n/a	3.98	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50258791 (4-(3-exo-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl)napht...) Show SMILES OC1CC2CCC(C1)N2c1ccc(C#N)c2ccccc12 |TLB:0:1:8:4.5,9:8:7.1.2:4.5| Show InChI InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415095 (CHEMBL568786) Show SMILES CC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:2:1:9:5.6,10:9:1.3.8:5.6,THB:0:1:9:5.6| Show InChI InChI=1S/C19H20N2O/c1-19(22)10-14-7-8-15(11-19)21(14)18-9-6-13(12-20)16-4-2-3-5-17(16)18/h2-6,9,14-15,22H,7-8,10-11H2,1H3/t14-,15-/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	n/a	n/a	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415094 (CHEMBL578199) Show SMILES OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C=C |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5| Show InChI InChI=1S/C20H20N2O/c1-2-20(23)11-15-8-9-16(12-20)22(15)19-10-7-14(13-21)17-5-3-4-6-18(17)19/h2-7,10,15-16,23H,1,8-9,11-12H2/t15-,16-/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	n/a	n/a	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415093 (CHEMBL570463) Show SMILES OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C1CC1 |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5| Show InChI InChI=1S/C21H22N2O/c22-13-14-5-10-20(19-4-2-1-3-18(14)19)23-16-8-9-17(23)12-21(24,11-16)15-6-7-15/h1-5,10,15-17,24H,6-9,11-12H2/t16-,17-/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	n/a	n/a	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415092 (CHEMBL570895) Show SMILES Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)C#N |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11| Show InChI InChI=1S/C15H17ClN2O/c1-9-14(5-2-10(8-17)15(9)16)18-11-3-4-12(18)7-13(19)6-11/h2,5,11-13,19H,3-4,6-7H2,1H3/t11-,12-/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	n/a	n/a	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415091 (CHEMBL576474) Show SMILES Cc1c(C)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)[N+]([O-])=O |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11| Show InChI InChI=1S/C15H20N2O3/c1-9-10(2)15(17(19)20)6-5-14(9)16-11-3-4-12(16)8-13(18)7-11/h5-6,11-13,18H,3-4,7-8H2,1-2H3/t11-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12.6	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.98	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	BDBM50415090 (CHEMBL576275) Show SMILES O=C1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C18H16N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-14H,6-7,9-10H2/t13-,14-/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	n/a	n/a	100	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Albumin (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to human serum albumin				J Med Chem 60: 7434-7446 (2017) Article DOI: 10.1021/acs.jmedchem.7b00787 BindingDB Entry DOI: 10.7270/Q29S1T5W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Mus musculus)	BDBM50415088 (CHEMBL577196) Show SMILES OC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14-/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	n/a	n/a	12.6	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415087 (CHEMBL570237) Show SMILES N#Cc1ccc(N2[C@@H]3CC[C@@H]2CCC3)c2ccccc12 |r,TLB:5:6:12.13.11:8.9| Show InChI InChI=1S/C18H18N2/c19-12-13-8-11-18(17-7-2-1-6-16(13)17)20-14-4-3-5-15(20)10-9-14/h1-2,6-8,11,14-15H,3-5,9-10H2/t14-,15-/m0/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	n/a	n/a	3.98	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Mus musculus)	BDBM50415086 (ACP-105 | CHEMBL570435) Show SMILES Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(C)(O)C2)C#N |r,TLB:15:14:8:10.11,7:8:14.17.13:10.11,THB:16:14:8:10.11| Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair

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