Compile Data Set for Download or QSAR

Found 389 hits with Last Name = 'chen' and Initial = 'sr'   

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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231595 (CHEMBL4092832) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1 Show InChI InChI=1S/C19H22N4O2/c1-2-10-23-18(13-8-5-9-14(24)11-13)22-17-15(19(23)25)20-16(21-17)12-6-3-4-7-12/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231590 (CHEMBL4063997) Show SMILES CCCn1c(Oc2cccnc2C)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231595 (CHEMBL4092832) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1 Show InChI InChI=1S/C19H22N4O2/c1-2-10-23-18(13-8-5-9-14(24)11-13)22-17-15(19(23)25)20-16(21-17)12-6-3-4-7-12/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21)	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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231589 (CHEMBL4073088) Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231597 (CHEMBL4102409) Show SMILES CCCn1c(Oc2cccc(OC)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H24N4O3/c1-3-11-24-19(25)16-18(22-17(21-16)13-7-4-5-8-13)23-20(24)27-15-10-6-9-14(12-15)26-2/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50005429 (CHEMBL4070288) Show SMILES CCc1ccc(cc1)C(=O)NCC1N(C)CCc2ccccc12 Show InChI InChI=1S/C40H51N3O5S/c1-6-27(4)25-41-37(45)24-36(44)35(21-26(2)3)42-39(47)40(49(5)48)43-38(46)32(22-30-17-11-15-28-13-7-9-19-33(28)30)23-31-18-12-16-29-14-8-10-20-34(29)31/h7-20,26-27,32,35-36,40,44H,6,21-25H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)/t27-,35+,36+,40?,49?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231709 (CHEMBL4083067) Show SMILES CCCn1c(Oc2cccnc2Cl)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-10-24-17(25)13-16(22-15(21-13)11-6-3-4-7-11)23-18(24)26-12-8-5-9-20-14(12)19/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50007985 (CHEMBL4097865) Show SMILES CCc1ccc(cc1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-30-14-8-7-13-29(26)30)38(56)48-31(15-9-10-20-45-40(60)47-28-18-16-27(43)17-19-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,46H,9-10,15,20-23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,58)(H,52,53)(H2,45,47,60)/t31-,32?,33?,34?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after...				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50042064 (CHEMBL4097466) Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H24N2O2/c1-26-17-11-12-18(26)14-19(13-17)28-24(27)21-15-23(16-7-3-2-4-8-16)25-22-10-6-5-9-20(21)22/h2-10,15,17-19H,11-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231707 (CHEMBL4085564) Show SMILES CCCn1c(Oc2cccc3cc[nH]c23)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H23N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)14-6-3-4-7-14)25-21(26)28-15-9-5-8-13-10-11-22-16(13)15/h5,8-11,14,22H,2-4,6-7,12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231707 (CHEMBL4085564) Show SMILES CCCn1c(Oc2cccc3cc[nH]c23)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H23N5O2/c1-2-12-26-20(27)17-19(24-18(23-17)14-6-3-4-7-14)25-21(26)28-15-9-5-8-13-10-11-22-16(13)15/h5,8-11,14,22H,2-4,6-7,12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231588 (CHEMBL4084453) Show SMILES CCCn1c(Oc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H21F3N4O2/c1-2-10-27-18(28)15-17(25-16(24-15)12-6-3-4-7-12)26-19(27)29-14-9-5-8-13(11-14)20(21,22)23/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50015426 (CHEMBL4070750) Show SMILES Cc1ccc(cc1)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C14H13N3O4S/c1-8-11(13(18)21-2)12(16-14(15-8)22-3)9-5-4-6-10(7-9)17(19)20/h4-7H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231590 (CHEMBL4063997) Show SMILES CCCn1c(Oc2cccnc2C)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H23N5O2/c1-3-11-24-18(25)15-17(22-16(21-15)13-7-4-5-8-13)23-19(24)26-14-9-6-10-20-12(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50009239 (CHEMBL4092125) Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29-,30?,31-,32?,33+,35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494112 (CHEMBL2441475) Show SMILES CCCCCn1c2ccc(cc2c2ccc(OC)cc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C24H30N2O2/c1-3-4-6-15-26-22-12-9-18(24(27)25-13-7-5-8-14-25)16-21(22)20-11-10-19(28-2)17-23(20)26/h9-12,16-17H,3-8,13-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231593 (CHEMBL4068469) Show SMILES CCCn1c(OC2CCC(O)C2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O3/c1-2-9-22-17(24)14-16(20-15(19-14)11-5-3-4-6-11)21-18(22)25-13-8-7-12(23)10-13/h11-13,23H,2-10H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231710 (CHEMBL4101044) Show SMILES CCCn1c(Oc2cccc(O)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H22N4O3/c1-2-10-23-18(25)15-17(21-16(20-15)12-6-3-4-7-12)22-19(23)26-14-9-5-8-13(24)11-14/h5,8-9,11-12,24H,2-4,6-7,10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231589 (CHEMBL4073088) Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H20ClN5O2/c1-2-7-24-17(25)14-16(22-15(21-14)11-5-3-4-6-11)23-18(24)26-13-8-12(19)9-20-10-13/h8-11H,2-7H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231715 (CHEMBL4088084) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O/c1-2-10-27-18(13-8-5-9-14(11-13)20(21,22)23)26-17-15(19(27)28)24-16(25-17)12-6-3-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231592 (CHEMBL4078636) Show SMILES CCCn1c(OC2CCOCC2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O3/c1-2-9-22-17(23)14-16(20-15(19-14)12-5-3-4-6-12)21-18(22)25-13-7-10-24-11-8-13/h12-13H,2-11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231596 (CHEMBL4074150) Show SMILES CCCn1c(Oc2ccc(F)c(F)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H20F2N4O2/c1-2-9-25-18(26)15-17(23-16(22-15)11-5-3-4-6-11)24-19(25)27-12-7-8-13(20)14(21)10-12/h7-8,10-11H,2-6,9H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50494112 (CHEMBL2441475) Show SMILES CCCCCn1c2ccc(cc2c2ccc(OC)cc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C24H30N2O2/c1-3-4-6-15-26-22-12-9-18(24(27)25-13-7-5-8-14-25)16-21(22)20-11-10-19(28-2)17-23(20)26/h9-12,16-17H,3-8,13-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					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	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231597 (CHEMBL4102409) Show SMILES CCCn1c(Oc2cccc(OC)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H24N4O3/c1-3-11-24-19(25)16-18(22-17(21-16)13-7-4-5-8-13)23-20(24)27-15-10-6-9-14(12-15)26-2/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231591 (CHEMBL4090857) Show SMILES CCCn1c(OC2CCCC2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O2/c1-2-11-22-17(23)14-16(20-15(19-14)12-7-3-4-8-12)21-18(22)24-13-9-5-6-10-13/h12-13H,2-11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231591 (CHEMBL4090857) Show SMILES CCCn1c(OC2CCCC2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O2/c1-2-11-22-17(23)14-16(20-15(19-14)12-7-3-4-8-12)21-18(22)24-13-9-5-6-10-13/h12-13H,2-11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231594 (CHEMBL4065762) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H24N4O2/c1-3-11-24-19(14-9-6-10-15(12-14)26-2)23-18-16(20(24)25)21-17(22-18)13-7-4-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated...				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231594 (CHEMBL4065762) Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H24N4O2/c1-3-11-24-19(14-9-6-10-15(12-14)26-2)23-18-16(20(24)25)21-17(22-18)13-7-4-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231588 (CHEMBL4084453) Show SMILES CCCn1c(Oc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C20H21F3N4O2/c1-2-10-27-18(28)15-17(25-16(24-15)12-6-3-4-7-12)26-19(27)29-14-9-5-8-13(11-14)20(21,22)23/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494086 (CHEMBL2441467) Show SMILES O=C(N1CCCCC1)c1ccc2n(CC3CCOCC3)c3ccccc3c2c1 Show InChI InChI=1S/C24H28N2O2/c27-24(25-12-4-1-5-13-25)19-8-9-23-21(16-19)20-6-2-3-7-22(20)26(23)17-18-10-14-28-15-11-18/h2-3,6-9,16,18H,1,4-5,10-15,17H2	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
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50494086 (CHEMBL2441467) Show SMILES O=C(N1CCCCC1)c1ccc2n(CC3CCOCC3)c3ccccc3c2c1 Show InChI InChI=1S/C24H28N2O2/c27-24(25-12-4-1-5-13-25)19-8-9-23-21(16-19)20-6-2-3-7-22(20)26(23)17-18-10-14-28-15-11-18/h2-3,6-9,16,18H,1,4-5,10-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231592 (CHEMBL4078636) Show SMILES CCCn1c(OC2CCOCC2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O3/c1-2-9-22-17(23)14-16(20-15(19-14)12-5-3-4-6-12)21-18(22)25-13-7-10-24-11-8-13/h12-13H,2-11H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231596 (CHEMBL4074150) Show SMILES CCCn1c(Oc2ccc(F)c(F)c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C19H20F2N4O2/c1-2-9-25-18(26)15-17(23-16(22-15)11-5-3-4-6-11)24-19(25)27-12-7-8-13(20)14(21)10-12/h7-8,10-11H,2-6,9H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231598 (CHEMBL4101929) Show SMILES CCCn1c(NCc2ccc(cc2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H24F3N5O/c1-2-11-29-19(30)16-18(27-17(26-16)14-5-3-4-6-14)28-20(29)25-12-13-7-9-15(10-8-13)21(22,23)24/h7-10,14H,2-6,11-12H2,1H3,(H,25,28)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494092 (CHEMBL2441452) Show SMILES CCCCCn1c2ccccc2c2cc(ncc12)C(=O)NCC(C)(C)C Show InChI InChI=1S/C22H29N3O/c1-5-6-9-12-25-19-11-8-7-10-16(19)17-13-18(23-14-20(17)25)21(26)24-15-22(2,3)4/h7-8,10-11,13-14H,5-6,9,12,15H2,1-4H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231718 (CHEMBL4073565) Show SMILES CCCn1c(NCc2ccc(C)cc2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H27N5O/c1-3-12-26-20(27)17-19(24-18(23-17)16-6-4-5-7-16)25-21(26)22-13-15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3,(H,22,25)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50008523 (CHEMBL4071332) Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(C)c(C)c1 Show InChI InChI=1S/C32H54N4O8/c1-4-12-22(34-30(43)24(18-21-15-10-7-11-16-21)36-31(44)32(3,33)5-2)29(42)35-23(17-20-13-8-6-9-14-20)26(39)28(41)27(40)25(38)19-37/h7,10-11,15-16,20,22-28,37-41H,4-6,8-9,12-14,17-19,33H2,1-3H3,(H,34,43)(H,35,42)(H,36,44)/t22?,23-,24?,25+,26+,27+,28+,32?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494106 (CHEMBL2441450) Show SMILES CCCCCn1c2ccccc2c2cc(ncc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C22H27N3O/c1-2-3-7-14-25-20-11-6-5-10-17(20)18-15-19(23-16-21(18)25)22(26)24-12-8-4-9-13-24/h5-6,10-11,15-16H,2-4,7-9,12-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494098 (CHEMBL2441256) Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H29N3O/c1-3-4-7-12-26-21-9-6-5-8-19(21)20-17-18(10-11-22(20)26)23(27)25-15-13-24(2)14-16-25/h5-6,8-11,17H,3-4,7,12-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231704 (CHEMBL4099951) Show SMILES CCCn1c(Oc2ccc3[nH]ccc3c2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H23N5O2/c1-2-11-26-20(27)17-19(24-18(23-17)13-5-3-4-6-13)25-21(26)28-15-7-8-16-14(12-15)9-10-22-16/h7-10,12-13,22H,2-6,11H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50015433 (CHEMBL4105599) Show SMILES Cc1ccc(cc1C)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C16H18N4O4/c1-5-24-15(21)13-10(2)17-16(19(3)4)18-14(13)11-7-6-8-12(9-11)20(22)23/h6-9H,5H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50494094 (CHEMBL2441445) Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=S)N1CCCCC1 Show InChI InChI=1S/C23H28N2S/c1-2-3-7-16-25-21-11-6-5-10-19(21)20-17-18(12-13-22(20)25)23(26)24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3	PDB Reactome pathway 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
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50494092 (CHEMBL2441452) Show SMILES CCCCCn1c2ccccc2c2cc(ncc12)C(=O)NCC(C)(C)C Show InChI InChI=1S/C22H29N3O/c1-5-6-9-12-25-19-11-8-7-10-16(19)17-13-18(23-14-20(17)25)21(26)24-15-22(2,3)4/h7-8,10-11,13-14H,5-6,9,12,15H2,1-4H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231713 (CHEMBL4059809) Show SMILES [H][C@]1(CCOC1)Oc1nc2nc([nH]c2c(=O)n1CCC)C1CCCC1 |r| Show InChI InChI=1S/C17H24N4O3/c1-2-8-21-16(22)13-15(19-14(18-13)11-5-3-4-6-11)20-17(21)24-12-7-9-23-10-12/h11-12H,2-10H2,1H3,(H,18,19)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494094 (CHEMBL2441445) Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=S)N1CCCCC1 Show InChI InChI=1S/C23H28N2S/c1-2-3-7-16-25-21-11-6-5-10-19(21)20-17-18(12-13-22(20)25)23(26)24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494100 (CHEMBL2441252) Show SMILES CCCCCn1c2ccccc2c2cc(ccc12)C(=O)N(CC)CC Show InChI InChI=1S/C22H28N2O/c1-4-7-10-15-24-20-12-9-8-11-18(20)19-16-17(13-14-21(19)24)22(25)23(5-2)6-3/h8-9,11-14,16H,4-7,10,15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis				Eur J Med Chem 69: 881-907 (2013) Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50008003 (CHEMBL4065924) Show SMILES Clc1ccc(cc1Cl)C(=O)NCC1NCCc2ccccc12 Show InChI InChI=1S/C43H54N8O8S/c1-26-14-8-10-18-30(26)50-41(60)45-21-13-12-20-32(38(55)49-35(24-36(52)53)40(57)48-33(37(44)54)22-27-15-6-5-7-16-27)47-39(56)34(51-42(58)59-43(2,3)4)23-28-25-46-31-19-11-9-17-29(28)31/h5-11,14-19,25,32-35,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,58)(H,52,53)(H2,45,50,60)/t32-,33?,34?,35?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins				Eur J Med Chem 126: 202-217 (2017) Article DOI: 10.1016/j.ejmech.2016.09.003 BindingDB Entry DOI: 10.7270/Q2RB76TS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50231593 (CHEMBL4068469) Show SMILES CCCn1c(OC2CCC(O)C2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H26N4O3/c1-2-9-22-17(24)14-16(20-15(19-14)11-5-3-4-6-11)21-18(22)25-13-8-7-12(23)10-13/h11-13,23H,2-10H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) Article DOI: 10.1016/j.bmc.2017.02.029 BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair

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