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Ligand source activities (1 row/activity)

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

(hydroxymethylphenyl)agomelatine	1956	None	0	Human	Binding	pKi	=	-	9.40	741	2	Unclassified	Guide to Pharmacology	349.2	6	2	3	3.69	COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(C)=O)c2c1	https://pubmed.ncbi.nlm.nih.gov/18778943
(hydroxymethylphenyl)agomelatine	1956	UNDEFINED	0	Human	Binding	pKi	=	0.36	9.44	741	2	-	PDSP KiDatabase	349.2	6	2	3	3.69	COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(C)=O)c2c1	-
(hydroxymethylphenyl)agomelatine	1956	None	0	Human	Binding	Ki	=	0.36	9.44	741	2	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells	ChEMBL	349.2	6	2	3	3.69	COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.bmc.2008.08.052
2-(indolin-1yl)-melatonin	69	None	0	Human	Binding	pKi	=	-	8.90	91	2	Unclassified	Guide to Pharmacology	363.2	6	2	3	3.42	COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1	https://pubmed.ncbi.nlm.nih.gov/19193160
2-(indolin-1yl)-melatonin	69	None	0	Human	Binding	Ki	=	1.18	8.93	91	2	Displacement of 2-[125I]iodoMLT from human MT2 receptor stably expressed in CHO cells incubated for 60 mins by Cheng-Prusoff equation analysis	ChEMBL	363.2	6	2	3	3.42	COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2022.114762
2-(indolin-1yl)-melatonin	69	None	0	Human	Binding	Ki	=	1.10	8.96	91	2	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells	ChEMBL	363.2	6	2	3	3.42	COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm800974d
2-(indolin-1yl)-melatonin	69	None	0	Human	Binding	Ki	=	1.18	8.93	91	2	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells	ChEMBL	363.2	6	2	3	3.42	COc1ccc2[nH]c(CN3CCc4ccccc43)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm800974d
2-iodo-melatonin	70	None	34	Human	Binding	pKi	=	-	10.00	-4	3	Unclassified	Guide to Pharmacology	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://pubmed.ncbi.nlm.nih.gov/12764576
2-iodo-melatonin	70	None	34	Human	Binding	pKi	=	-	10.00	-4	3	Unclassified	Guide to Pharmacology	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://pubmed.ncbi.nlm.nih.gov/9089668
2-iodo-melatonin	70	None	34	Human	Binding	pKi	=	-	10.00	-4	3	Unclassified	Guide to Pharmacology	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://pubmed.ncbi.nlm.nih.gov/9618428
2-iodo-melatonin	70	None	34	Human	Binding	pKi	=	-	10.00	-4	3	Unclassified	Guide to Pharmacology	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://pubmed.ncbi.nlm.nih.gov/2991499
2-iodo-melatonin	70	None	34	Human	Binding	Ki	=	0.22	9.66	-4	3	Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in African green monkey COS7 cells	ChEMBL	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm401343c
2-iodo-melatonin	70	None	34	Human	Binding	Ki	=	0.16	9.80	-4	3	Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells	ChEMBL	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm011053+
2-iodo-melatonin	70	None	34	Human	Binding	Ki	=	0.15	9.82	-4	3	Compound was tested for binding affinity against human Melatonin receptor type 1B in CHO cells	ChEMBL	358.0	4	2	2	2.46	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/S0960-894X(97)00444-7
2-methoxy-α,β-didehydro-agomelatine	78	None	0	Human	Binding	Ki	=	0.07	10.15	-2	2	Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting	ChEMBL	271.1	4	1	3	2.96	COc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1	https://dx.doi.org/10.1016/j.bmcl.2012.11.069
4P-PDOT	124	None	34	Human	Binding	Ki	=	0.46	9.34	870	2	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells	ChEMBL	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	https://dx.doi.org/10.1021/jm800974d
4P-PDOT	124	125I-Iodomelatonin	34	Human	Binding	pKi	=	0.01	11.00	870	2	-	PDSP KiDatabase	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	-
4P-PDOT	124	125I-Iodomelatonin	34	Human	Binding	pKi	=	1.50	8.82	870	2	-	PDSP KiDatabase	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	-
4P-PDOT	124	None	34	Human	Binding	Ki	=	1.50	8.82	870	2	Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in African green monkey COS7 cells	ChEMBL	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	https://dx.doi.org/10.1021/jm401343c
4P-PDOT	124	None	34	Human	Binding	Ki	=	0.02	10.80	870	2	Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells	ChEMBL	279.2	3	1	1	3.66	CCC(=O)NC1Cc2ccccc2C(c2ccccc2)C1	https://dx.doi.org/10.1021/jm048956y

Showing 1 to 20 of 1,285 entries

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

(hydroxymethylphenyl)agomelatine	1956	None	0	Human	Functional	EC50	=	0.76	9.12	-	2	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay	ChEMBL	349.2	6	2	3	3.69	COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.bmc.2008.08.052
5-MeO-DMT	140	None	16	Human	Functional	EC50	=	112.00	6.95	-57	30	Agonist activity at human melatonin receptor-2 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay	ChEMBL	218.1	4	1	2	2.28	COc1ccc2[nH]cc(CCN(C)C)c2c1	https://dx.doi.org/10.1021/acs.jmedchem.5b00245
AAE-M-PBP-amine	216	None	0	Human	Functional	Ki	=	91.20	7.04	-	2	Agonist activity at MT2 receptor (unknown origin) expressed in mouse NIH3T3 cells assessed as inhibition of forskolin-induced cAMP accumulation	ChEMBL	340.2	10	1	3	3.66	CC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1	https://dx.doi.org/10.1021/jm401343c
agomelatine	313	None	72	Human	Functional	EC50	=	0.10	10.00	3	5	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.bmc.2008.08.052
agomelatine	313	None	72	Human	Functional	EC50	=	0.18	9.74	3	5	Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2015.12.047
agomelatine	313	None	72	Human	Functional	EC50	=	0.18	9.74	3	5	Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2017.10.025
agomelatine	313	None	72	Human	Functional	EC50	=	88900.00	4.05	3	5	Agonist activity at human MT2 receptor transfected in HEK293T cells co-transfected with tet-inducible luciferase reporter plasmid, pCDNA3.1(+)-CMV-betaArrestin2-tev plasmid and TANGO plasmid assessed as relative luminescence unit incubated for 24 hrs by TANGO-GPCR assay based luminescence plate reader analysis	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1039/d2md00156j
agomelatine	313	None	72	Human	Functional	EC50	=	0.21	9.68	3	5	Agonist activity at human MT2 expressed in CHO cell membrane incubated for 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2020.112078
agomelatine	313	None	72	Human	Functional	EC50	=	0.07	10.16	3	5	Agonist activity at human MT2 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1039/C4MD00149D
agomelatine	313	None	72	Human	Functional	EC50	=	0.18	9.74	3	5	Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.ejmech.2016.12.013
agomelatine	313	None	72	Human	Functional	EC50	=	0.10	10.00	3	5	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1016/j.bmc.2010.04.008
agomelatine	313	None	72	Human	Functional	EC50	=	0.10	10.00	3	5	Agonist potency determined by [35S]GTP gamma-S binding assay using CHO cell lines for Melatonin receptor type 1B	ChEMBL	243.1	4	1	2	2.53	COc1ccc2cccc(CCNC(C)=O)c2c1	https://dx.doi.org/10.1021/jm0255872
BOMPPA	705	None	0	Human	Functional	EC50	=	0.24	9.62	173	2	Agonist activity at human MT2 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured for 3 mins by FLIPR assay	ChEMBL	341.2	9	1	3	3.75	CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(OC)c1	https://dx.doi.org/10.1016/j.bmc.2012.10.060
CHEMBL1094212	8523	None	0	Human	Functional	EC50	=	26.00	7.58	-10	2	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	483.2	12	2	4	5.92	CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(-c4ccc(CO)cc4)cc3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1095197	8647	None	0	Human	Functional	EC50	=	88.00	7.06	-3	2	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	513.3	12	1	5	6.19	COC(=O)C(C)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1095505	8668	None	0	Human	Functional	EC50	=	161.00	6.79	-7	2	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	499.2	12	2	4	6.10	CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cc(C(C)C(=O)O)ccc4c3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1097314	8869	None	0	Human	Functional	EC50	=	134.00	6.87	-	2	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	564.3	15	2	4	6.37	O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1097315	8870	None	0	Human	Functional	EC50	=	40.20	7.40	-2	2	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	564.3	17	2	4	6.70	C=CCC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1097497	8892	None	0	Human	Functional	EC50	=	20.60	7.69	-10	2	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay	ChEMBL	518.2	13	2	5	5.65	CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4scc(CCNC(C)=O)c4c3)cc12	https://dx.doi.org/10.1016/j.bmc.2010.04.008
CHEMBL1209706	15129	None	0	Human	Functional	EC50	=	2100.00	5.68	-60	2	Agonist activity at melatonin receptor type 1B expressed in CHO cells assessed as cAMP release	ChEMBL	513.2	3	1	4	5.37	Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3CNC[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)C#N	https://dx.doi.org/10.1016/j.bmcl.2010.06.068

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Ligand source activities (1 row/activity)