Compile Data Set for Download or QSAR

Found 7874 hits with Last Name = 'orr' and Initial = 'd'   

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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50412728 (CHEMBL521523) Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C32H39FN4O/c1-23-21-37(15-14-35-23)22-27-5-3-6-28(18-27)30-19-26(8-9-31(30)33)20-36-32(38)29-7-2-4-25(17-29)16-24-10-12-34-13-11-24/h2-9,17-19,23-24,34-35H,10-16,20-22H2,1H3,(H,36,38)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 51: 5915-8 (2008) Article DOI: 10.1021/jm800935u BindingDB Entry DOI: 10.7270/Q21G0NHB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50200340 ((+/-)-huprine Y-HCl | (+/-)-huprineY hydrochloride...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1,THB:18:7:1.2.6:4,10:8:1.2.6:4| Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Binding affinity to human AChE				J Med Chem 49: 6833-40 (2006) Article DOI: 10.1021/jm060945c BindingDB Entry DOI: 10.7270/Q29K4C1S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50560224 (CHEMBL4751100) Show SMILES COc1cc2OC(C)(CCNCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of recombinant human AChE expressed in HEK293 cells assessed as dissociation constant for enzyme-inhibitor complex using varying lev...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00528 BindingDB Entry DOI: 10.7270/Q23N2733
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50560224 (CHEMBL4751100) Show SMILES COc1cc2OC(C)(CCNCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed inhibition of recombinant human AChE expressed in HEK293 cells assessed as dissociation constant for enzyme-substrate-inhibitor complex using v...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00528 BindingDB Entry DOI: 10.7270/Q23N2733
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound was determined against to human cannabinoid receptor 2 in chinese hamster ovary cells				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50412340 (CHEMBL540359) Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r| Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M1 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 51: 4866-9 (2008) Article DOI: 10.1021/jm800634k BindingDB Entry DOI: 10.7270/Q2MG7QQS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556952 (CHEMBL4754487) Show SMILES COc1cc(CNC(=O)CCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:34,TLB:23:22:19:34.31.32,THB:16:17:19:34.31.32| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed-type inhibition of recombinant human AChE assessed as inhibition constant using acetylthiocholine iodide as substrate by Cornish-Bowden plot an...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human recombinant muscarinic receptor M3 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50556952 (CHEMBL4754487) Show SMILES COc1cc(CNC(=O)CCCCCCNc2c3C4CC(Cc3nc3cc(Cl)ccc23)C=C(C)C4)ccc1O |t:34,TLB:23:22:19:34.31.32,THB:16:17:19:34.31.32| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed-type inhibition of recombinant human AChE assessed as dissociation constant for protein-substrate-compound complex using acetylthiocholine iodi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01775 BindingDB Entry DOI: 10.7270/Q2K077XJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50272598 (6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...) Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r| Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50414549 (CHEMBL563480) Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C19H16Cl2N4O2S/c1-2-25-8-9-27-15-7-6-11(10-14(15)25)17(26)22-19-24-23-18(28-19)16-12(20)4-3-5-13(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay				Bioorg Med Chem Lett 19: 4292-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.074 BindingDB Entry DOI: 10.7270/Q2SQ90DS
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50414547 (CHEMBL558644) Show SMILES CN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C18H14Cl2N4O2S/c1-24-7-8-26-14-6-5-10(9-13(14)24)16(25)21-18-23-22-17(27-18)15-11(19)3-2-4-12(15)20/h2-6,9H,7-8H2,1H3,(H,21,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay				Bioorg Med Chem Lett 19: 4292-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.074 BindingDB Entry DOI: 10.7270/Q2SQ90DS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50379268 (CHEMBL3216556) Show SMILES Cl.Cl.Cl.Cl.[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5CCCCc5nc5cc(Cl)ccc45)c3[C@]([H])(CC(C)=C1)C2 |r,c:47| Show InChI InChI=1S/C37H42Cl2N4/c1-23-17-24-19-25(18-23)35-34(20-24)43-33-22-27(39)12-14-30(33)37(35)41-16-8-4-2-3-7-15-40-36-28-9-5-6-10-31(28)42-32-21-26(38)11-13-29(32)36/h11-14,17,21-22,24-25H,2-10,15-16,18-20H2,1H3,(H,40,42)(H,41,43)/t24-,25+/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				J Med Chem 55: 661-9 (2012) Article DOI: 10.1021/jm200840c BindingDB Entry DOI: 10.7270/Q26974KH
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound was determined against to human cannabinoid receptor 1 in chinese hamster ovary cells				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128092 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...) Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23?,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50007801 (CHEMBL3233832) Show SMILES Cl.[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5C(=O)c6c(O)cccc6C(=O)c5c4)c3[C@]([H])(CC(C)=C1)C2 |r,c:54| Show InChI InChI=1S/C41H42ClN3O5.ClH/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46;/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50);1H/t24-,25+;/m0./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	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate assessed as dissociation constant for enzyme-inhibitor complex by Li...				J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9
					More data for this Ligand-Target Pair
Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50524284 (CHEMBL4443342) Show SMILES COc1cc(Nc2ccnc3ccc(Br)cc23)cc(OC)c1OC Show InChI InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50384444 (CHEMBL2035510) Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1 Show InChI InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...				ACS Med Chem Lett 1: 316-320 (2010) Article DOI: 10.1021/ml100077x BindingDB Entry DOI: 10.7270/Q2BG2Q1F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50412340 (CHEMBL540359) Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r| Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M2 receptor expressed in CHO cells coexpressed with Gqi5 by scintillatio...				J Med Chem 51: 4866-9 (2008) Article DOI: 10.1021/jm800634k BindingDB Entry DOI: 10.7270/Q2MG7QQS
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50414536 (CHEMBL551202) Show SMILES Clc1cccc(Cl)c1-c1nnc(NC(=O)c2ccc3OCCOc3c2)s1 Show InChI InChI=1S/C17H11Cl2N3O3S/c18-10-2-1-3-11(19)14(10)16-21-22-17(26-16)20-15(23)9-4-5-12-13(8-9)25-7-6-24-12/h1-5,8H,6-7H2,(H,20,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay				Bioorg Med Chem Lett 19: 4292-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.074 BindingDB Entry DOI: 10.7270/Q2SQ90DS
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (RAT)	BDBM50384444 (CHEMBL2035510) Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2cccc(F)c2c1 Show InChI InChI=1S/C21H17FN2O4/c1-11(2)21(19(26)24-20(27)28-21)15-8-9-17(23-18(15)25)13-7-6-12-4-3-5-16(22)14(12)10-13/h3-11H,1-2H3,(H,23,25)(H,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...				ACS Med Chem Lett 1: 316-320 (2010) Article DOI: 10.1021/ml100077x BindingDB Entry DOI: 10.7270/Q2BG2Q1F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50007801 (CHEMBL3233832) Show SMILES Cl.[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5C(=O)c6c(O)cccc6C(=O)c5c4)c3[C@]([H])(CC(C)=C1)C2 |r,c:54| Show InChI InChI=1S/C41H42ClN3O5.ClH/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46;/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50);1H/t24-,25+;/m0./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	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate assessed as dissociation constant for enzyme-substrate-inhibitor com...				J Med Chem 57: 2549-67 (2014) Article DOI: 10.1021/jm401824w BindingDB Entry DOI: 10.7270/Q2FX7BZ9
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Cyclin-G-associated kinase (Homo sapiens (Human))	BDBM50537138 (CHEMBL4531690) Show SMILES Clc1cc2OCCOCCNc3ccn4ncc(-c(c1)c2)c4n3 Show InChI InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay				J Med Chem 62: 2830-2836 (2019) Article DOI: 10.1021/acs.jmedchem.8b01213 BindingDB Entry DOI: 10.7270/Q28919C7
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Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN 55,2122Mesylate [5,73H] as Radioactive tracer				Bioorg Med Chem Lett 12: 2399-402 (2002) BindingDB Entry DOI: 10.7270/Q2TM79FG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50257064 (CHEMBL2386850) Show SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1 Show InChI InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Radiology and Radiological Sciences, Vanderbilt University Institute of Imaging Science, Vanderbilt University Medical Center , Nashville, Tennessee 37232, United States. Curated by ChEMBL					Assay Description Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGlu5 receptor expressed in HEK293A cell membranes after 1 hr by scintillatio...				J Med Chem 60: 5072-5085 (2017) Article DOI: 10.1021/acs.jmedchem.7b00410 BindingDB Entry DOI: 10.7270/Q2JH3PM7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50451435 (CHEMBL2112289) Show SMILES [H][C@@]12CC[C@@](C)(C1)C(NC(=O)c1c(C)n(CCCCC)c3c(OC)cccc13)C2(C)C |r| Show InChI InChI=1S/C26H38N2O2/c1-7-8-9-15-28-17(2)21(19-11-10-12-20(30-6)22(19)28)23(29)27-24-25(3,4)18-13-14-26(24,5)16-18/h10-12,18,24H,7-9,13-16H2,1-6H3,(H,27,29)/t18-,24?,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer				Bioorg Med Chem Lett 12: 2399-402 (2002) BindingDB Entry DOI: 10.7270/Q2TM79FG
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50414543 (CHEMBL550316) Show SMILES CN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(C)cccc1C Show InChI InChI=1S/C20H20N4O2S/c1-12-5-4-6-13(2)17(12)19-22-23-20(27-19)21-18(25)14-7-8-16-15(11-14)24(3)9-10-26-16/h4-8,11H,9-10H2,1-3H3,(H,21,23,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay				Bioorg Med Chem Lett 19: 4292-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.074 BindingDB Entry DOI: 10.7270/Q2SQ90DS
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50384443 (CHEMBL1770317) Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6| Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human EP3				ACS Med Chem Lett 1: 316-320 (2010) Article DOI: 10.1021/ml100077x BindingDB Entry DOI: 10.7270/Q2BG2Q1F
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50198889 (CHEMBL3979616) Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C/c1ccccc1O Show InChI InChI=1S/C15H10O4/c16-10-5-6-11-13(8-10)19-14(15(11)18)7-9-3-1-2-4-12(9)17/h1-8,16-17H/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50483809 (CHEMBL1770337) Show SMILES CC(C)C1(OC(=O)NC1=O)c1cc(C)c([nH]c1=O)-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H20N2O4/c1-12(2)22(20(26)24-21(27)28-22)17-10-13(3)18(23-19(17)25)16-9-8-14-6-4-5-7-15(14)11-16/h4-12H,1-3H3,(H,23,25)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...				Bioorg Med Chem Lett 21: 2806-11 (2011) Article DOI: 10.1016/j.bmcl.2011.03.107 BindingDB Entry DOI: 10.7270/Q2NZ8BGM
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50384445 (CHEMBL2035508) Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...				ACS Med Chem Lett 1: 316-320 (2010) Article DOI: 10.1021/ml100077x BindingDB Entry DOI: 10.7270/Q2BG2Q1F
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50417191 (CHEMBL1272136) Show SMILES CCc1cccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)c1 Show InChI InChI=1S/C21H19ClFN3O2/c1-2-14-6-3-7-15(12-14)24-21(28)25-19-10-5-11-26(20(19)27)13-16-17(22)8-4-9-18(16)23/h3-12H,2,13H2,1H3,(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by ...				Bioorg Med Chem Lett 20: 6744-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.137 BindingDB Entry DOI: 10.7270/Q25M65Z8
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (RAT)	BDBM50414549 (CHEMBL563480) Show SMILES CCN1CCOc2ccc(cc12)C(=O)Nc1nnc(s1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C19H16Cl2N4O2S/c1-2-25-8-9-27-15-7-6-11(10-14(15)25)17(26)22-19-24-23-18(28-19)16-12(20)4-3-5-13(16)21/h3-7,10H,2,8-9H2,1H3,(H,22,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat EP3 receptor				Bioorg Med Chem Lett 19: 4292-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.074 BindingDB Entry DOI: 10.7270/Q2SQ90DS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human recombinant muscarinic receptor M4 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50442525 (CHEMBL2440659 | US8796295, Table 2: Compound: 1) Show SMILES Cc1csc(NC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1 Show InChI InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor allosteric binding site (unknown origin)				Bioorg Med Chem Lett 23: 5779-85 (2013) Article DOI: 10.1016/j.bmcl.2013.09.001 BindingDB Entry DOI: 10.7270/Q2X92CSQ
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50123324 (7-Methoxy-6-oxazol-5-yl-2-phenyl-1H-quinolin-4-one...) Show SMILES COc1cc2nc(cc(O)c2cc1-c1cnco1)-c1ccccc1 Show InChI InChI=1S/C19H14N2O3/c1-23-18-9-16-13(7-14(18)19-10-20-11-24-19)17(22)8-15(21-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb PRI Curated by ChEMBL					Assay Description Inhibitory activity of the compound against IMPDH II with respect to IMP and NAD				Bioorg Med Chem Lett 13: 543-6 (2003) BindingDB Entry DOI: 10.7270/Q2SJ1JZT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50483814 (CHEMBL1770319) Show SMILES O=C1NC(=O)C(O1)(C1CCCC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H20N2O4/c26-20-18(23(17-7-3-4-8-17)21(27)25-22(28)29-23)11-12-19(24-20)16-10-9-14-5-1-2-6-15(14)13-16/h1-2,5-6,9-13,17H,3-4,7-8H2,(H,24,26)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...				Bioorg Med Chem Lett 21: 2806-11 (2011) Article DOI: 10.1016/j.bmcl.2011.03.107 BindingDB Entry DOI: 10.7270/Q2NZ8BGM
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50483823 (CHEMBL1770341) Show SMILES CC(C)[C@]1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...				Bioorg Med Chem Lett 21: 2806-11 (2011) Article DOI: 10.1016/j.bmcl.2011.03.107 BindingDB Entry DOI: 10.7270/Q2NZ8BGM
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50483821 (CHEMBL1770320) Show SMILES O=C1NC(=O)C(O1)(C1CCCCC1)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 Show InChI InChI=1S/C24H22N2O4/c27-21-19(24(18-8-2-1-3-9-18)22(28)26-23(29)30-24)12-13-20(25-21)17-11-10-15-6-4-5-7-16(15)14-17/h4-7,10-14,18H,1-3,8-9H2,(H,25,27)(H,26,28,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...				Bioorg Med Chem Lett 21: 2806-11 (2011) Article DOI: 10.1016/j.bmcl.2011.03.107 BindingDB Entry DOI: 10.7270/Q2NZ8BGM
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50414548 (CHEMBL550055) Show SMILES Clc1cccc(Cl)c1-c1nnc(NC(=O)c2ccc3OCCNc3c2)s1 Show InChI InChI=1S/C17H12Cl2N4O2S/c18-10-2-1-3-11(19)14(10)16-22-23-17(26-16)21-15(24)9-4-5-13-12(8-9)20-6-7-25-13/h1-5,8,20H,6-7H2,(H,21,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay				Bioorg Med Chem Lett 19: 4292-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.074 BindingDB Entry DOI: 10.7270/Q2SQ90DS
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (RAT)	BDBM50384445 (CHEMBL2035508) Show SMILES CC(C)C1(OC(=O)NC1=O)c1ccc([nH]c1=O)-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C20H19N3O4/c1-11(2)20(18(25)22-19(26)27-20)14-5-6-15(21-17(14)24)12-4-7-16-13(10-12)8-9-23(16)3/h4-11H,1-3H3,(H,21,24)(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...				ACS Med Chem Lett 1: 316-320 (2010) Article DOI: 10.1021/ml100077x BindingDB Entry DOI: 10.7270/Q2BG2Q1F
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50128095 (7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...) Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50116857 (7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...) Show SMILES COc1cccc2c(C(=O)N[C@@H](Cc3ccccc3)C(C)=O)c(C)n(CCN3CCOCC3)c12 Show InChI InChI=1S/C27H33N3O4/c1-19-25(27(32)28-23(20(2)31)18-21-8-5-4-6-9-21)22-10-7-11-24(33-3)26(22)30(19)13-12-29-14-16-34-17-15-29/h4-11,23H,12-18H2,1-3H3,(H,28,32)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer				Bioorg Med Chem Lett 12: 2399-402 (2002) BindingDB Entry DOI: 10.7270/Q2TM79FG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50116851 ((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12 Show InChI InChI=1S/C27H33N3O5/c1-19-24(26(31)28-22(27(32)34-3)18-20-8-5-4-6-9-20)21-10-7-11-23(33-2)25(21)30(19)13-12-29-14-16-35-17-15-29/h4-11,22H,12-18H2,1-3H3,(H,28,31)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN 55,2122Mesylate [5,73H] as Radioactive tracer				Bioorg Med Chem Lett 12: 2399-402 (2002) BindingDB Entry DOI: 10.7270/Q2TM79FG
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (RAT)	BDBM50384443 (CHEMBL1770317) Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6| Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs...				ACS Med Chem Lett 1: 316-320 (2010) Article DOI: 10.1021/ml100077x BindingDB Entry DOI: 10.7270/Q2BG2Q1F
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50384443 (CHEMBL1770317) Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6| Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentrati...				Bioorg Med Chem Lett 21: 2806-11 (2011) Article DOI: 10.1016/j.bmcl.2011.03.107 BindingDB Entry DOI: 10.7270/Q2NZ8BGM
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50384443 (CHEMBL1770317) Show SMILES CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6| Show InChI InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by ...				ACS Med Chem Lett 1: 316-320 (2010) Article DOI: 10.1021/ml100077x BindingDB Entry DOI: 10.7270/Q2BG2Q1F
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50128100 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...) Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24?,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]				J Med Chem 46: 2110-6 (2003) Article DOI: 10.1021/jm020329q BindingDB Entry DOI: 10.7270/Q2J67HPG
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50116849 (7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...) Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1C2(C)CCC(C2)C1(C)C |THB:21:22:28:25.26| Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer				Bioorg Med Chem Lett 12: 2399-402 (2002) BindingDB Entry DOI: 10.7270/Q2TM79FG
					More data for this Ligand-Target Pair

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