Compile Data Set for Download or QSAR

Found 467 hits with Last Name = 'ferreira' and Initial = 'a'   

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
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575514 (CHEMBL4852440) Show SMILES CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244360 ((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1| Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575516 (CHEMBL4874954) Show SMILES CCCC(=O)NCCn1c(OCC)nc2ccc(OC)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575514 (CHEMBL4852440) Show SMILES CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575513 (CHEMBL4873903) Show SMILES COc1nc2ccc3OCCc3c2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575516 (CHEMBL4874954) Show SMILES CCCC(=O)NCCn1c(OCC)nc2ccc(OC)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575511 (CHEMBL4859677) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244359 ((6aR,10aR)-3-(2-(3-bromophenyl)propan-2-yl)-6,6,9-...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Br)c1 |r,t:1| Show InChI InChI=1S/C25H29BrO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50133544 ((6aR,10aR)-3-(1-Cyclohexyl-1-methyl-ethyl)-6,6,9-t...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCC1 |t:1| Show InChI InChI=1S/C25H36O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h11,14-15,17,19-20,26H,6-10,12-13H2,1-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity towards Cannabinoid receptor 1 using CP55,940 as radioligand in HEK293 EBNA cells				Bioorg Med Chem Lett 13: 3487-90 (2003) BindingDB Entry DOI: 10.7270/Q2251HMM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575513 (CHEMBL4873903) Show SMILES COc1nc2ccc3OCCc3c2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50133544 ((6aR,10aR)-3-(1-Cyclohexyl-1-methyl-ethyl)-6,6,9-t...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCC1 |t:1| Show InChI InChI=1S/C25H36O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h11,14-15,17,19-20,26H,6-10,12-13H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity towards Cannabinoid receptor 2 using CP55,940 as radioligand in HEK293 EBNA cells				Bioorg Med Chem Lett 13: 3487-90 (2003) BindingDB Entry DOI: 10.7270/Q2251HMM
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244284 ((6aR,10aR)-3-(2-(4-ethylphenyl)propan-2-yl)-6,6,9-...) Show SMILES CCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575517 (CHEMBL4869463) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463447 (US10781182, Compound IA2-143 | US11091445, Compoun...) Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463444 (US10781182, Compound IA2-121 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244252 ((6aR,10aR)-6,6,9-trimethyl-3-(2-p-tolylpropan-2-yl...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(C)cc1 |r,t:1| Show InChI InChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244322 ((6aR,10aR)-3-(2-(3-fluorophenyl)propan-2-yl)-6,6,9...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(F)c1 |r,t:1| Show InChI InChI=1S/C25H29FO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50133546 ((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1| Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50243718 (3-(2-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(c1)C#N |r,t:1| Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50133546 ((6aR,10aR)-6,6,9-Trimethyl-3-(1-methyl-1-phenyl-et...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccccc1 |r,t:1| Show InChI InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity towards Cannabinoid receptor 2 using CP55,940 as radioligand in HEK293 EBNA cells				Bioorg Med Chem Lett 13: 3487-90 (2003) BindingDB Entry DOI: 10.7270/Q2251HMM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463444 (US10781182, Compound IA2-121 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575511 (CHEMBL4859677) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575510 (CHEMBL4867553) Show SMILES COc1ccc2nc(SC)n(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50244360 ((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1| Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463443 (US10781182, Compound IA2-120 | US11091445, Compoun...) Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575515 (CHEMBL4872217) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)CC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50133547 ((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)C1CCCCC1 |t:1| Show InChI InChI=1S/C25H34O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity towards Cannabinoid receptor 2				Bioorg Med Chem Lett 13: 3487-90 (2003) BindingDB Entry DOI: 10.7270/Q2251HMM
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244281 ((6aR,10aR)-6,6,9-trimethyl-3-(2-m-tolylpropan-2-yl...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(C)c1 |r,t:1| Show InChI InChI=1S/C26H32O2/c1-16-8-7-9-18(12-16)25(3,4)19-14-22(27)24-20-13-17(2)10-11-21(20)26(5,6)28-23(24)15-19/h7-10,12,14-15,20-21,27H,11,13H2,1-6H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575512 (CHEMBL4854625) Show SMILES COc1nc2ccc(OC)cc2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575515 (CHEMBL4872217) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)CC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244358 ((6aR,10aR)-3-(2-(4-bromophenyl)propan-2-yl)-6,6,9-...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Br)cc1 |r,t:1| Show InChI InChI=1S/C25H29BrO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50244359 ((6aR,10aR)-3-(2-(3-bromophenyl)propan-2-yl)-6,6,9-...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Br)c1 |r,t:1| Show InChI InChI=1S/C25H29BrO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463446 (US10781182, Compound IA2-142 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244323 ((6aR,10aR)-3-(2-(4-chlorophenyl)propan-2-yl)-6,6,9...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(Cl)cc1 |r,t:1| Show InChI InChI=1S/C25H29ClO2/c1-15-6-11-20-19(12-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-9-18(26)10-8-16/h6-10,13-14,19-20,27H,11-12H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50244320 ((6aR,10aR)-6,6,9-trimethyl-3-(2-(4-propylphenyl)pr...) Show SMILES CCCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:21| Show InChI InChI=1S/C28H36O2/c1-7-8-19-10-12-20(13-11-19)27(3,4)21-16-24(29)26-22-15-18(2)9-14-23(22)28(5,6)30-25(26)17-21/h9-13,16-17,22-23,29H,7-8,14-15H2,1-6H3/t22-,23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50244284 ((6aR,10aR)-3-(2-(4-ethylphenyl)propan-2-yl)-6,6,9-...) Show SMILES CCc1ccc(cc1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:20| Show InChI InChI=1S/C27H34O2/c1-7-18-9-11-19(12-10-18)26(3,4)20-15-23(28)25-21-14-17(2)8-13-22(21)27(5,6)29-24(25)16-20/h8-12,15-16,21-22,28H,7,13-14H2,1-6H3/t21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50133547 ((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)C1CCCCC1 |t:1| Show InChI InChI=1S/C25H34O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity towards Cannabinoid receptor 1				Bioorg Med Chem Lett 13: 3487-90 (2003) BindingDB Entry DOI: 10.7270/Q2251HMM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463447 (US10781182, Compound IA2-143 | US11091445, Compoun...) Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463445 (US10781182, Compound IA2-140 | US11091445, Compoun...) Show SMILES COc1nc2ccc(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50243717 (3-[1-(4-Cyano-phenyl)-1-methyl-ethyl]-6,6,9-trimet...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(cc1)C#N |r,t:1| Show InChI InChI=1S/C26H29NO2/c1-16-6-11-21-20(12-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-9-7-17(15-27)8-10-18/h6-10,13-14,20-21,28H,11-12H2,1-5H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50244281 ((6aR,10aR)-6,6,9-trimethyl-3-(2-m-tolylpropan-2-yl...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(C)c1 |r,t:1| Show InChI InChI=1S/C26H32O2/c1-16-8-7-9-18(12-16)25(3,4)19-14-22(27)24-20-13-17(2)10-11-21(20)26(5,6)28-23(24)15-19/h7-10,12,14-15,20-21,27H,11,13H2,1-6H3/t20-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50243718 (3-(2-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(c1)C#N |r,t:1| Show InChI InChI=1S/C26H29NO2/c1-16-9-10-21-20(11-16)24-22(28)13-19(14-23(24)29-26(21,4)5)25(2,3)18-8-6-7-17(12-18)15-27/h6-9,12-14,20-21,28H,10-11H2,1-5H3/t20-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50244357 ((6aR,10aR)-3-(2-(3-chlorophenyl)propan-2-yl)-6,6,9...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Cl)c1 |r,t:1| Show InChI InChI=1S/C25H29ClO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50297764 ((R)-5-cyano-3-(3,4-dioxo-2-(1-phenylpropylamino)cy...) Show SMILES CC[C@@H](Nc1c(Nc2cc(cc(C(=O)N(C)C)c2O)C#N)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C23H22N4O4/c1-4-16(14-8-6-5-7-9-14)25-18-19(22(30)21(18)29)26-17-11-13(12-24)10-15(20(17)28)23(31)27(2)3/h5-11,16,25-26,28H,4H2,1-3H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of human [125I]IL-8 from human CXCR2				Bioorg Med Chem Lett 19: 4446-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.049 BindingDB Entry DOI: 10.7270/Q2H1323X
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575512 (CHEMBL4854625) Show SMILES COc1nc2ccc(OC)cc2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50244252 ((6aR,10aR)-6,6,9-trimethyl-3-(2-p-tolylpropan-2-yl...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(C)cc1 |r,t:1| Show InChI InChI=1S/C26H32O2/c1-16-7-10-18(11-8-16)25(3,4)19-14-22(27)24-20-13-17(2)9-12-21(20)26(5,6)28-23(24)15-19/h7-11,14-15,20-21,27H,12-13H2,1-6H3/t20-,21-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575510 (CHEMBL4867553) Show SMILES COc1ccc2nc(SC)n(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244357 ((6aR,10aR)-3-(2-(3-chlorophenyl)propan-2-yl)-6,6,9...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccc(Cl)c1 |r,t:1| Show InChI InChI=1S/C25H29ClO2/c1-15-9-10-20-19(11-15)23-21(27)13-17(14-22(23)28-25(20,4)5)24(2,3)16-7-6-8-18(26)12-16/h6-9,12-14,19-20,27H,10-11H2,1-5H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair

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