GPCRdb

	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

CHEMBL3979652	153578	None	0	Human	Binding	IC50	=	2.00	8.70	-	6	Antagonist activity at CXCR6 (unknown origin)	ChEMBL	453.2	7	3	8	3.06	Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CCCO2)o1	https://dx.doi.org/10.1021/acs.jmedchem.5b01337
CHEMBL4632425	177139	None	0	Human	Binding	IC50	=	110.00	6.96	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	499.2	7	1	7	4.78	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(F)cccc3s2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4632989	177176	None	0	Human	Binding	IC50	=	930.00	6.03	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	492.2	8	2	7	3.34	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccccc2C#N)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4633183	177193	None	0	Human	Binding	IC50	=	900.00	6.05	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	480.2	7	1	6	5.24	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2cc3ccccc3s2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4633217	177200	None	0	Human	Binding	IC50	=	6800.00	5.17	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	458.2	7	1	5	4.68	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2Cl)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4635707	177339	None	0	Human	Binding	IC50	=	410.00	6.39	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	501.2	8	2	6	4.12	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cccc(Cl)c2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4635792	177348	None	0	Human	Binding	IC50	=	23700.00	4.62	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	463.2	7	2	5	4.51	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2cc3ccccc3[nH]2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4636310	177383	None	0	Human	Binding	IC50	=	38200.00	4.42	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	535.2	8	2	6	4.77	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2c(Cl)cccc2Cl)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4636339	177388	None	0	Human	Binding	IC50	=	3100.00	5.51	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	511.2	8	1	8	4.65	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(OC)cccc3s2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4637126	177429	None	0	Human	Binding	IC50	=	40.00	7.40	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	549.2	7	1	7	5.66	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(C(F)(F)F)cccc3s2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4637126	177429	None	0	Human	Binding	IC50	=	2100.00	5.68	-	1	Inhibition of CXCR6-mediated cell invasion in human SKHEP1 cells after 72 hrs by transwell assay	ChEMBL	549.2	7	1	7	5.66	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(C(F)(F)F)cccc3s2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4637126	177429	None	0	Human	Binding	IC50	=	39.81	7.40	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	549.2	7	1	7	5.66	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(C(F)(F)F)cccc3s2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4637473	177451	None	0	Human	Binding	IC50	=	3400.00	5.47	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	474.3	7	1	5	5.18	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2ccc3ccccc3c2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4638493	177522	None	0	Human	Binding	IC50	=	260.00	6.58	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	515.2	7	1	7	5.29	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3cccc(Cl)c3s2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4638791	177551	None	0	Human	Binding	IC50	=	1500.00	5.82	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	501.2	8	2	6	4.12	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4638895	177562	None	0	Human	Binding	IC50	=	80.00	7.10	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	559.1	7	1	7	5.40	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(Br)cccc3s2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4639114	177578	None	0	Human	Binding	IC50	=	610.00	6.21	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	495.3	8	2	6	4.08	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4639692	177618	None	0	Human	Binding	IC50	=	250.00	6.60	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	495.2	7	1	7	4.95	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3Cc2nc3c(C)cccc3s2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4639996	177632	None	0	Human	Binding	IC50	=	640.00	6.19	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	535.2	8	2	6	4.49	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899
CHEMBL4640101	177637	None	0	Human	Binding	IC50	=	840.00	6.08	-	1	Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based assay	ChEMBL	485.2	8	2	6	3.61	COc1cc(C(=O)N[C@H]2C[C@@H]3CCC[C@H](C2)N3CC(=O)Nc2cccc(F)c2)cc(OC)c1OC	https://dx.doi.org/10.1016/j.bmcl.2019.126899

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Main reference

Ligand source activities (1 row/activity)