Ligand source activities (1 row/activity)
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 | |
17β-estradiol | 25 | None | 53 | Human | Binding | pKi | = | - | 8.35 | - | 4 | Unclassified | Guide to Pharmacology | 272.2 | 0 | 2 | 2 | 3.61 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | https://pubmed.ncbi.nlm.nih.gov/15705806 | |
17β-estradiol | 25 | None | 53 | Human | Binding | pKi | = | - | 8.35 | - | 4 | Unclassified | Guide to Pharmacology | 272.2 | 0 | 2 | 2 | 3.61 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | https://pubmed.ncbi.nlm.nih.gov/15539556 | |
17β-estradiol | 25 | None | 53 | Human | Binding | Ki | = | 2.70 | 8.57 | - | 4 | Competitive binding affinity to G-protein coupled estrogen receptor (unknown origin) expressed in COS7 cells by E2 Alexa 633 staining based fluorescence analysis | ChEMBL | 272.2 | 0 | 2 | 2 | 3.61 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | https://dx.doi.org/10.1039/C5MD00455A | |
17β-estradiol | 25 | None | 53 | Human | Binding | Ki | = | 5.70 | 8.24 | - | 4 | Inhibition of estrogen binding to GPR30 (unknown origin) | ChEMBL | 272.2 | 0 | 2 | 2 | 3.61 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | https://dx.doi.org/10.1021/jm400132d | |
17β-estradiol | 25 | None | 53 | Human | Binding | Ki | = | 5.70 | 8.24 | - | 4 | Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS | ChEMBL | 272.2 | 0 | 2 | 2 | 3.61 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | https://dx.doi.org/10.1038/nchembio775 | |
17β-estradiol | 25 | None | 53 | Human | Binding | pKd | = | - | 8.55 | - | 4 | Unclassified | Guide to Pharmacology | 272.2 | 0 | 2 | 2 | 3.61 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | https://pubmed.ncbi.nlm.nih.gov/15539556 | |
2-Methoxyestradiol | 79 | None | 0 | Human | Binding | pKd | = | - | 8.00 | - | 1 | Specific binding affinity of [3H]2ME2 to GPER in vitro | Guide to Pharmacology | 302.2 | 1 | 2 | 3 | 3.62 | COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | https://pubmed.ncbi.nlm.nih.gov/24262995 | |
fulvestrant | 1700 | None | 0 | Human | Binding | pKi | = | - | 7.00 | - | 1 | Unclassified | Guide to Pharmacology | 606.3 | 14 | 2 | 3 | 8.68 | C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O | https://pubmed.ncbi.nlm.nih.gov/15539556 | |
G-1 | 1706 | None | 18 | Human | Binding | pKi | = | - | 8.00 | - | 2 | Unclassified | Guide to Pharmacology | 411.0 | 2 | 1 | 4 | 5.21 | CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 | https://pubmed.ncbi.nlm.nih.gov/16520733 | |
G-1 | 1706 | None | 18 | Human | Binding | Ki | = | 11.00 | 7.96 | - | 2 | Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS | ChEMBL | 411.0 | 2 | 1 | 4 | 5.21 | CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 | https://dx.doi.org/10.1038/nchembio775 | |
G-1 | 1706 | None | 18 | Human | Binding | Ki | = | 7.00 | 8.15 | - | 2 | Binding affinity to GPR30 in human Hec50 cells by competitive binding assay | ChEMBL | 411.0 | 2 | 1 | 4 | 5.21 | CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 | https://dx.doi.org/10.1038/nchembio.168 | |
G-1 | 1706 | None | 18 | Human | Binding | Ki | = | 11.00 | 7.96 | - | 2 | Inhibition of estrogen binding to GPR30 (unknown origin) | ChEMBL | 411.0 | 2 | 1 | 4 | 5.21 | CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 | https://dx.doi.org/10.1021/jm400132d | |
G-1 | 1706 | None | 18 | Human | Binding | IC50 | = | 11.00 | 7.96 | - | 2 | Binding affinity to GPR30 | ChEMBL | 411.0 | 2 | 1 | 4 | 5.21 | CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 | https://dx.doi.org/10.1021/jm9011802 | |
G15 | 1707 | None | 31 | Human | Binding | Ki | = | 20.00 | 7.70 | - | 1 | Binding affinity to GPR30 in human Hec50 cells by competitive binding assay | ChEMBL | 369.0 | 1 | 1 | 3 | 5.00 | Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2 | https://dx.doi.org/10.1038/nchembio.168 | |
G15 | 1707 | None | 31 | Human | Binding | IC50 | = | 20.00 | 7.70 | - | 1 | Binding affinity to GPR30 | ChEMBL | 369.0 | 1 | 1 | 3 | 5.00 | Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2 | https://dx.doi.org/10.1021/jm9011802 | |
raloxifene | 3286 | None | 44 | Human | Binding | pKi | = | - | 7.00 | -15 | 29 | Unclassified | Guide to Pharmacology | 473.2 | 7 | 2 | 6 | 6.08 | O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 | https://pubmed.ncbi.nlm.nih.gov/24379833 | |
tamoxifen | 3747 | None | 45 | Human | Binding | pKi | None | - | 6.00 | -194 | 41 | Unclassified | Guide to Pharmacology | 371.2 | 8 | 0 | 2 | 6.00 | CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 | https://pubmed.ncbi.nlm.nih.gov/15539556 |
Showing 1 to 17 of 17 entries
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 | |
17β-estradiol | 25 | None | 53 | Human | Functional | pEC50 | = | 9.52 | 8.02 | 7079 | 4 | None | Drug Central | 272.2 | 0 | 2 | 2 | 3.61 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | - | |
17β-estradiol | 25 | None | 53 | Human | Functional | EC50 | = | 0.30 | 9.52 | 7079 | 4 | Agonist activity at GPR30 (unknown origin) by calcium mobilization assay | ChEMBL | 272.2 | 0 | 2 | 2 | 3.61 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | https://dx.doi.org/10.1021/jm400132d | |
17β-estradiol | 25 | None | 53 | Human | Functional | EC50 | = | 0.30 | 9.52 | 7079 | 4 | Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry | ChEMBL | 272.2 | 0 | 2 | 2 | 3.61 | C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | https://dx.doi.org/10.1038/nchembio775 | |
CHEMBL4204236 | 163745 | None | 2 | Human | Functional | EC50 | = | 20.00 | 7.70 | - | 1 | Agonist activity at GPER (unknown origin) expressed in human HL60 cells assessed as increase in cAMP accumulation in presence of IBMX after 15 mins by HTRF assay | ChEMBL | 369.1 | 4 | 2 | 3 | 4.75 | O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2cc(F)ccc2[nH]1 | https://dx.doi.org/10.1021/acsmedchemlett.8b00212 | |
CHEMBL4204670 | 163770 | None | 0 | Human | Functional | EC50 | = | 480.00 | 6.32 | - | 1 | Agonist activity at GPER (unknown origin) expressed in human HL60 cells assessed as increase in cAMP accumulation in presence of IBMX after 15 mins by HTRF assay | ChEMBL | 397.0 | 3 | 2 | 3 | 5.16 | CCc1nc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)sc1C | https://dx.doi.org/10.1021/acsmedchemlett.8b00212 | |
CHEMBL4212956 | 164471 | None | 1 | Human | Functional | EC50 | = | 1620.00 | 5.79 | - | 1 | Agonist activity at GPER (unknown origin) expressed in human HL60 cells assessed as increase in cAMP accumulation in presence of IBMX after 15 mins by HTRF assay | ChEMBL | 403.0 | 4 | 2 | 3 | 5.40 | O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1[nH]c2ccccc2c1Cl | https://dx.doi.org/10.1021/acsmedchemlett.8b00212 | |
CHEMBL5170710 | 190074 | None | 0 | Human | Functional | Ki | = | 11.00 | 7.96 | - | 1 | Agonist activity at GPER (unknown origin) | ChEMBL | 411.0 | 2 | 1 | 4 | 5.21 | CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1C(c1cc3c(cc1Br)OCO3)N2 | https://dx.doi.org/10.1016/j.ejmech.2022.114658 | |
fulvestrant | 1700 | None | 0 | Human | Functional | pEC50 | = | 7.00 | 8.15 | - | 1 | None | Drug Central | 606.3 | 14 | 2 | 3 | 8.68 | C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O | - | |
G-1 | 1706 | None | 18 | Human | Functional | EC50 | = | 2.00 | 8.70 | 79 | 2 | Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry | ChEMBL | 411.0 | 2 | 1 | 4 | 5.21 | CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 | https://dx.doi.org/10.1038/nchembio775 | |
G-1 | 1706 | None | 18 | Human | Functional | EC50 | = | 1450.00 | 5.84 | 79 | 2 | Agonist activity at GPER (unknown origin) expressed in human HL60 cells assessed as increase in cAMP accumulation in presence of IBMX after 15 mins by HTRF assay | ChEMBL | 411.0 | 2 | 1 | 4 | 5.21 | CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 | https://dx.doi.org/10.1021/acsmedchemlett.8b00212 | |
G-1 | 1706 | None | 18 | Human | Functional | EC50 | = | 2.00 | 8.70 | 79 | 2 | Agonist activity at GPR30 (unknown origin) by calcium mobilization assay | ChEMBL | 411.0 | 2 | 1 | 4 | 5.21 | CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 | https://dx.doi.org/10.1021/jm400132d | |
G15 | 1707 | None | 31 | Human | Functional | pIC50 | = | - | 6.70 | - | 1 | Unclassified | Guide to Pharmacology | 369.0 | 1 | 1 | 3 | 5.00 | Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2 | https://pubmed.ncbi.nlm.nih.gov/19430488 | |
G15 | 1707 | None | 31 | Human | Functional | IC50 | = | 185.00 | 6.73 | - | 1 | Antagonist activity at GPR30 in human SKBr3 cells assessed as inhibition of G1-mediated calcium mobilization | ChEMBL | 369.0 | 1 | 1 | 3 | 5.00 | Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2 | https://dx.doi.org/10.1038/nchembio.168 | |
G15 | 1707 | None | 31 | Human | Functional | IC50 | = | 190.00 | 6.72 | - | 1 | Antagonist activity at GPR30 in human SKBr3 cells assessed as inhibition of E2-mediated calcium mobilization | ChEMBL | 369.0 | 1 | 1 | 3 | 5.00 | Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@@H]3C=CC[C@@H]31)OCO2 | https://dx.doi.org/10.1038/nchembio.168 | |
G36 | 1708 | None | 0 | Human | Functional | pIC50 | = | - | 6.87 | - | 1 | Unclassified | Guide to Pharmacology | 411.1 | 2 | 1 | 3 | 6.13 | CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 | https://pubmed.ncbi.nlm.nih.gov/21782022 | |
raloxifene | 3286 | None | 44 | Human | Functional | pEC50 | = | 6.50 | 8.19 | 16 | 29 | None | Drug Central | 473.2 | 7 | 2 | 6 | 6.08 | O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 | - | |
tamoxifen | 3747 | None | 45 | Human | Functional | pIC50 | = | 7.50 | 8.12 | 31 | 41 | None | Drug Central | 371.2 | 8 | 0 | 2 | 6.00 | CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 | - |
Showing 1 to 17 of 17 entries