Compile Data Set for Download or QSAR

Found 322 hits with Last Name = 'astles' and Initial = 'pc'   

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
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494512 (CHEMBL3092906) Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2[nH]c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C18H21ClN6/c1-3-24-8-10-25(11-9-24)18-15-17(20-12(2)21-18)23-16(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3,(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494515 (CHEMBL3092893) Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN2C(CCC2=O)C1)-c1ccccc1Cl Show InChI InChI=1S/C22H25ClN6O2.ClH/c1-14-24-21(27-9-10-28-15(13-27)7-8-18(28)30)19-22(25-14)29(11-12-31-2)20(26-19)16-5-3-4-6-17(16)23;/h3-6,15H,7-13H2,1-2H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50387887 (CHEMBL2057798) Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387887 (CHEMBL2057798) Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494505 (CHEMBL3092891) Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CCF)CC1)-c1ccccc1Cl Show InChI InChI=1S/C21H26ClFN6O/c1-15-24-20(28-11-9-27(8-7-23)10-12-28)18-21(25-15)29(13-14-30-2)19(26-18)16-5-3-4-6-17(16)22/h3-6H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50039497 (CHEMBL3139138) Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCOC)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C21H27ClN6O/c1-4-26-9-11-27(12-10-26)20-18-21(24-15(2)23-20)28(13-14-29-3)19(25-18)16-7-5-6-8-17(16)22/h5-8H,4,9-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50039497 (CHEMBL3139138) Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(CCOC)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C21H27ClN6O/c1-4-26-9-11-27(12-10-26)20-18-21(24-15(2)23-20)28(13-14-29-3)19(25-18)16-7-5-6-8-17(16)22/h5-8H,4,9-14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387882 (CHEMBL2057800) Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H23ClN6/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21/h3-6,14H,7-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494505 (CHEMBL3092891) Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CCF)CC1)-c1ccccc1Cl Show InChI InChI=1S/C21H26ClFN6O/c1-15-24-20(28-11-9-27(8-7-23)10-12-28)18-21(25-15)29(13-14-30-2)19(26-18)16-5-3-4-6-17(16)22/h3-6H,7-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494512 (CHEMBL3092906) Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2[nH]c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C18H21ClN6/c1-3-24-8-10-25(11-9-24)18-15-17(20-12(2)21-18)23-16(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3,(H,20,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50387877 (CHEMBL2057795) Show SMILES CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1 Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 4962-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.035 BindingDB Entry DOI: 10.7270/Q2Z60Q3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50387882 (CHEMBL2057800) Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H23ClN6/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21/h3-6,14H,7-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387884 (CHEMBL2057803) Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387884 (CHEMBL2057803) Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 4962-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.035 BindingDB Entry DOI: 10.7270/Q2Z60Q3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494514 (CHEMBL3092892) Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CC1)C(C)=O)-c1ccccc1Cl Show InChI InChI=1S/C21H25ClN6O2/c1-14-23-20(27-10-8-26(9-11-27)15(2)29)18-21(24-14)28(12-13-30-3)19(25-18)16-6-4-5-7-17(16)22/h4-7H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494510 (CHEMBL3092887) Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C1CC1 Show InChI InChI=1S/C25H32N6O/c1-17-26-24(30-13-11-29(2)12-14-30)22-25(27-17)31(19-9-15-32-16-10-19)23(28-22)21-6-4-3-5-20(21)18-7-8-18/h3-6,18-19H,7-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494513 (CHEMBL3092900) Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2n(CC3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C24H31ClN6O/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25/h4-7,18H,3,8-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50387884 (CHEMBL2057803) Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 4962-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.035 BindingDB Entry DOI: 10.7270/Q2Z60Q3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50387884 (CHEMBL2057803) Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494504 (CHEMBL3092889) Show SMILES Cl.CCc1ccccc1-c1nc2c(nc(C)nc2n1C1CCOCC1)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N6O/c1-4-18-7-5-6-8-20(18)22-27-21-23(29-13-11-28(3)12-14-29)25-17(2)26-24(21)30(22)19-9-15-31-16-10-19/h5-8,19H,4,9-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50006250 (CHEMBL3139186) Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to rat CB2 receptor				Bioorg Med Chem Lett 24: 5572-5 (2014) Article DOI: 10.1016/j.bmcl.2014.11.006 BindingDB Entry DOI: 10.7270/Q2R78GVW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50006250 (CHEMBL3139186) Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494520 (CHEMBL3092896) Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(CCS(C)(=O)=O)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H25ClN6O2S/c1-14-22-19(26-10-8-25(2)9-11-26)17-20(23-14)27(12-13-30(3,28)29)18(24-17)15-6-4-5-7-16(15)21/h4-7H,8-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494514 (CHEMBL3092892) Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN(CC1)C(C)=O)-c1ccccc1Cl Show InChI InChI=1S/C21H25ClN6O2/c1-14-23-20(27-10-8-26(9-11-27)15(2)29)18-21(24-14)28(12-13-30-3)19(25-18)16-6-4-5-7-17(16)22/h4-7H,8-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006250 (CHEMBL3139186) Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 24: 5572-5 (2014) Article DOI: 10.1016/j.bmcl.2014.11.006 BindingDB Entry DOI: 10.7270/Q2R78GVW
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50006250 (CHEMBL3139186) Show SMILES CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494511 (CHEMBL3092903) Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H27F3N6O/c1-15-27-21(31-11-9-30(2)10-12-31)19-22(28-15)32(16-7-13-33-14-8-16)20(29-19)17-5-3-4-6-18(17)23(24,25)26/h3-6,16H,7-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494515 (CHEMBL3092893) Show SMILES Cl.COCCn1c(nc2c(nc(C)nc12)N1CCN2C(CCC2=O)C1)-c1ccccc1Cl Show InChI InChI=1S/C22H25ClN6O2.ClH/c1-14-24-21(27-9-10-28-15(13-27)7-8-18(28)30)19-22(25-14)29(11-12-31-2)20(26-19)16-5-3-4-6-17(16)23;/h3-6,15H,7-13H2,1-2H3;1H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50387883 (CHEMBL2057801) Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCO)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C19H23ClN6O/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20/h3-6,27H,7-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387885 (CHEMBL2057804) Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 4962-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.035 BindingDB Entry DOI: 10.7270/Q2Z60Q3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387885 (CHEMBL2057804) Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494513 (CHEMBL3092900) Show SMILES Cl.CCN1CCN(CC1)c1nc(C)nc2n(CC3CCOCC3)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C24H31ClN6O/c1-3-29-10-12-30(13-11-29)23-21-24(27-17(2)26-23)31(16-18-8-14-32-15-9-18)22(28-21)19-6-4-5-7-20(19)25/h4-7,18H,3,8-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494510 (CHEMBL3092887) Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C1CC1 Show InChI InChI=1S/C25H32N6O/c1-17-26-24(30-13-11-29(2)12-14-30)22-25(27-17)31(19-9-15-32-16-10-19)23(28-22)21-6-4-3-5-20(21)18-7-8-18/h3-6,18-19H,7-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494504 (CHEMBL3092889) Show SMILES Cl.CCc1ccccc1-c1nc2c(nc(C)nc2n1C1CCOCC1)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N6O/c1-4-18-7-5-6-8-20(18)22-27-21-23(29-13-11-28(3)12-14-29)25-17(2)26-24(21)30(22)19-9-15-31-16-10-19/h5-8,19H,4,9-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494511 (CHEMBL3092903) Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H27F3N6O/c1-15-27-21(31-11-9-30(2)10-12-31)19-22(28-15)32(16-7-13-33-14-8-16)20(29-19)17-5-3-4-6-18(17)23(24,25)26/h3-6,16H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387877 (CHEMBL2057795) Show SMILES CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1 Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 4962-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.035 BindingDB Entry DOI: 10.7270/Q2Z60Q3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50387885 (CHEMBL2057804) Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 4962-6 (2012) Article DOI: 10.1016/j.bmcl.2012.06.035 BindingDB Entry DOI: 10.7270/Q2Z60Q3D
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50387885 (CHEMBL2057804) Show SMILES CN1CCN(CC1)c1nc(C)nc2n([C@H]3CCOC3)c(nc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H25ClN6O/c1-14-23-20(27-10-8-26(2)9-11-27)18-21(24-14)28(15-7-12-29-13-15)19(25-18)16-5-3-4-6-17(16)22/h3-6,15H,7-13H2,1-2H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494509 (CHEMBL3092888) Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C Show InChI InChI=1S/C23H30N6O/c1-16-6-4-5-7-19(16)21-26-20-22(28-12-10-27(3)11-13-28)24-17(2)25-23(20)29(21)18-8-14-30-15-9-18/h4-7,18H,8-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50494520 (CHEMBL3092896) Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(CCS(C)(=O)=O)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C20H25ClN6O2S/c1-14-22-19(26-10-8-25(2)9-11-26)17-20(23-14)27(12-13-30(3,28)29)18(24-17)15-6-4-5-7-16(15)21/h4-7H,8-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494509 (CHEMBL3092888) Show SMILES Cl.CN1CCN(CC1)c1nc(C)nc2n(C3CCOCC3)c(nc12)-c1ccccc1C Show InChI InChI=1S/C23H30N6O/c1-16-6-4-5-7-19(16)21-26-20-22(28-12-10-27(3)11-13-28)24-17(2)25-23(20)29(21)18-8-14-30-15-9-18/h4-7,18H,8-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50387886 (CHEMBL2057805) Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCN3CCCC3=O)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C23H28ClN7O/c1-16-25-22(30-12-10-28(2)11-13-30)20-23(26-16)31(15-14-29-9-5-8-19(29)32)21(27-20)17-6-3-4-7-18(17)24/h3-4,6-7H,5,8-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50387886 (CHEMBL2057805) Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCN3CCCC3=O)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C23H28ClN7O/c1-16-25-22(30-12-10-28(2)11-13-30)20-23(26-16)31(15-14-29-9-5-8-19(29)32)21(27-20)17-6-3-4-7-18(17)24/h3-4,6-7H,5,8-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	459	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50387887 (CHEMBL2057798) Show SMILES CCN1CCN(CC1)c1nc(C)nc2n(C)c(nc12)-c1ccccc1Cl Show InChI InChI=1S/C19H23ClN6/c1-4-25-9-11-26(12-10-25)19-16-18(21-13(2)22-19)24(3)17(23-16)14-7-5-6-8-15(14)20/h5-8H,4,9-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG				J Med Chem 56: 5722-33 (2013) Article DOI: 10.1021/jm400305d BindingDB Entry DOI: 10.7270/Q2BR8W4W
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50051895 (2-(2,4-Dioxa-spiro[5.5]undec-3-yl)-4,5-diphenyl-1H...) Show SMILES C1CCC2(CC1)COC(OC2)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)26-22(25-20)23-27-16-24(17-28-23)14-8-3-9-15-24/h1-2,4-7,10-13,23H,3,8-9,14-17H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.				J Med Chem 39: 1423-32 (1996) Article DOI: 10.1021/jm9505876 BindingDB Entry DOI: 10.7270/Q2TB160C
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065508 ((R)-4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4...) Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccsc2)ccc1C#N Show InChI InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085853 (CHEMBL173251 | Sodium; [2-cyano-5-(pyridin-4-ylmet...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C([O-])=O Show InChI InChI=1S/C22H18N2O4/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16/h2-12,21H,14H2,1H3,(H,25,26)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50065516 ((R)-4-[2-Cyano-5-(pyridin-3-ylmethoxy)-phenoxy]-4-...) Show SMILES Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2cccnc2)ccc1C#N Show InChI InChI=1S/C24H22N2O4/c1-17-5-2-3-7-21(17)22(10-11-24(27)28)30-23-13-20(9-8-19(23)14-25)29-16-18-6-4-12-26-15-18/h2-9,12-13,15,22H,10-11,16H2,1H3,(H,27,28)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rh£ne-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.				J Med Chem 41: 2732-44 (1998) Article DOI: 10.1021/jm9707131 BindingDB Entry DOI: 10.7270/Q2HM594W
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085859 ((2-Chloro-phenyl)-[2-cyano-5-(pyridin-4-ylmethoxy)...) Show SMILES OC(=O)C(Oc1cc(OCc2ccncc2)ccc1C#N)c1ccccc1Cl Show InChI InChI=1S/C21H15ClN2O4/c22-18-4-2-1-3-17(18)20(21(25)26)28-19-11-16(6-5-15(19)12-23)27-13-14-7-9-24-10-8-14/h1-11,20H,13H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50085845 (CHEMBL174235 | [5-(Benzooxazol-6-ylmethoxy)-2-cyan...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccc3ncoc3c2)ccc1C#N)C(O)=O Show InChI InChI=1S/C24H18N2O5/c1-15-4-2-3-5-19(15)23(24(27)28)31-21-11-18(8-7-17(21)12-25)29-13-16-6-9-20-22(10-16)30-14-26-20/h2-11,14,23H,13H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair

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