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 | |
(R)-ZINC-3573 | 3426 | None | 17 | Human | Binding | EC50 | = | 1000.00 | 6.00 | - | 6 | Selectivity interaction (FLIPR assay) EUB0000353a MRGPRX2 | ChEMBL | 307.2 | 3 | 0 | 5 | 2.54 | CN(C)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1 | https://dx.doi.org/10.6019/CHEMBL5212743 | |
(R)-ZINC-3573 | 3426 | None | 17 | Human | Binding | EC50 | = | 740.00 | 6.13 | - | 6 | Affinity On-target Cellular interaction (PRESTO-Tango concentration response assay (by the NIMH-PDSP)) EUB0000353a MRGPRX2 | ChEMBL | 307.2 | 3 | 0 | 5 | 2.54 | CN(C)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1 | https://dx.doi.org/10.6019/CHEMBL5210121 | |
(R)-ZINC-3573 | 3426 | None | 17 | Human | Binding | EC50 | = | 1000.00 | 6.00 | - | 6 | FLIPR assay | ChEMBL | 307.2 | 3 | 0 | 5 | 2.54 | CN(C)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1 | https://dx.doi.org/10.6019/CHEMBL4507322 | |
(R)-ZINC-3573 | 3426 | None | 17 | Human | Binding | EC50 | = | 740.00 | 6.13 | - | 6 | PRESTO-Tango concentration response assay | ChEMBL | 307.2 | 3 | 0 | 5 | 2.54 | CN(C)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1 | https://dx.doi.org/10.6019/CHEMBL4507322 | |
CHEMBL5184932 | 190995 | None | 0 | Human | Binding | EC50 | = | 290.00 | 6.54 | - | 1 | Agonistic activity at MRGPRX2 (unknown origin) | ChEMBL | 344.2 | 1 | 1 | 3 | 3.93 | CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@@H]2C1 | https://dx.doi.org/10.1016/j.bmcl.2021.128485 | |
HTL-0022562 | 177311 | None | 6 | Human | Binding | EC50 | = | 900.00 | 6.05 | - | 1 | Agonist activity at MRGPX2 (unknown origin) | ChEMBL | 763.4 | 9 | 5 | 10 | 3.06 | Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12 | https://dx.doi.org/10.1021/acs.jmedchem.0c01003 |
Showing 1 to 6 of 6 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 | |
(R)-ZINC-3573 | 3426 | None | 17 | Human | Functional | pEC50 | = | - | 6.12 | - | 6 | Unclassified | Guide to Pharmacology | 307.2 | 3 | 0 | 5 | 2.54 | CN(C)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1 | https://pubmed.ncbi.nlm.nih.gov/28288109 | |
CHEMBL502132 | 188527 | None | 0 | Human | Functional | EC50 | = | 630.96 | 6.20 | -10 | 2 | Agonist activity at human MrgX2 receptor | ChEMBL | 606.3 | 10 | 3 | 6 | 6.55 | CCC(C)[C@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | https://dx.doi.org/10.1016/j.bmcl.2009.01.085 | |
CHEMBL502480 | 188550 | None | 0 | Human | Functional | EC50 | = | 398.11 | 6.40 | - | 1 | Agonist activity at human MrgX2 receptor | ChEMBL | 619.4 | 6 | 1 | 7 | 5.34 | CC(C)[C@H]1C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21 | https://dx.doi.org/10.1016/j.bmcl.2009.01.085 | |
CHEMBL503202 | 188746 | None | 0 | Human | Functional | EC50 | = | 1258.93 | 5.90 | -3 | 2 | Agonist activity at human MrgX2 receptor | ChEMBL | 632.3 | 7 | 3 | 6 | 5.91 | CCC(C)[C@H]1C(=O)Nc2ccc(N3CCC(NC(C)=O)C3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | https://dx.doi.org/10.1016/j.bmcl.2009.01.085 | |
CHEMBL503688 | 188770 | None | 0 | Human | Functional | EC50 | = | 158.49 | 6.80 | - | 1 | Agonist activity at human MrgX2 receptor | ChEMBL | 550.3 | 6 | 2 | 6 | 5.63 | CC(C)[C@H]1C(=O)Nc2ccc(NCc3ccccc3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21 | https://dx.doi.org/10.1016/j.bmcl.2009.01.085 | |
CHEMBL505263 | 188860 | None | 0 | Human | Functional | EC50 | = | 1995.26 | 5.70 | -10 | 2 | Agonist activity at human MrgX2 receptor | ChEMBL | 632.3 | 9 | 3 | 6 | 7.09 | CCC(C)[C@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 | https://dx.doi.org/10.1016/j.bmcl.2009.01.085 | |
CHEMBL5184300 | 190948 | None | 3 | Human | Functional | IC50 | = | 2.51 | 8.60 | - | 1 | Antagonist activity at human MRGPRX2 expressed in HEK293 cells co-expressing mouse Galpha15 assessed as inhibition of Cortistatin-14 induced Ca2+ mobilization preincubated for 30 mins followed by Cortistatin-14 addition by FLIPRtetra-calcium mobilization assay | ChEMBL | 491.2 | 6 | 1 | 6 | 3.63 | C[C@@H](C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)[C@@H](c2cc[n+]([O-])cc2)C1 | https://dx.doi.org/10.1021/acsmedchemlett.2c00262 | |
compound 2 [PMID: 19230660] | 1060 | None | 0 | Human | Functional | pEC50 | = | - | 6.50 | - | 1 | Unclassified | Guide to Pharmacology | 542.3 | 4 | 2 | 6 | 5.76 | CC(C)[C@H]1C(=O)Nc2ccc(NC3CCCCCC3)cc2-c2nc3cc(C(=O)N4CCCN(C)CC4)ccc3n21 | https://pubmed.ncbi.nlm.nih.gov/19230660 | |
compound 2 [PMID: 19230660] | 1060 | None | 0 | Human | Functional | EC50 | = | 316.23 | 6.50 | - | 1 | Agonist activity at human MrgX2 receptor | ChEMBL | 542.3 | 4 | 2 | 6 | 5.76 | CC(C)[C@H]1C(=O)Nc2ccc(NC3CCCCCC3)cc2-c2nc3cc(C(=O)N4CCCN(C)CC4)ccc3n21 | https://dx.doi.org/10.1016/j.bmcl.2009.01.085 | |
compound 48/80 | 1104 | None | 0 | Human | Functional | pEC50 | = | - | 5.74 | - | 1 | Unclassified | Guide to Pharmacology | 519.3 | 16 | 3 | 6 | 4.18 | CNCCc1ccc(OC)c(Cc2cc(CCNC)cc(Cc3cc(CCNC)ccc3OC)c2OC)c1 | https://pubmed.ncbi.nlm.nih.gov/28288109 | |
cortistatin-14 | 1170 | None | 0 | Human | Functional | pEC50 | = | - | 7.25 | - | 7 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/12915402 | |
cortistatin-14 | 1170 | None | 0 | Human | Functional | pEC50 | = | - | 7.25 | - | 7 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/15823563 | |
cortistatin-14 | 1170 | None | 0 | Human | Functional | pEC50 | = | - | 7.25 | - | 7 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/23396314 | |
cortistatin-14 | 1170 | None | 0 | Human | Functional | pEC50 | = | - | 7.25 | - | 7 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/28288109 | |
CORTISTATIN-14 | 212959 | None | 0 | Human | Functional | EC50 | = | 501.19 | 6.30 | - | 1 | Agonist activity at human MrgX2 receptor | ChEMBL | - | - | - | - | - | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC1=O | https://dx.doi.org/10.1016/j.bmcl.2009.01.085 | |
ERAS-5024 | 1580 | None | 0 | Human | Functional | pEC50 | = | - | 5.38 | - | 1 | Unclassified | Guide to Pharmacology | 673.2 | 5 | 2 | 9 | 6.16 | N#Cc1c(N)sc2c(F)ccc(-c3c(C(F)(F)F)cc4c(N5CC6CCC(C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12 | https://pubmed.ncbi.nlm.nih.gov/37321326 | |
GPR15L | 1837 | None | 0 | Human | Functional | pEC50 | = | - | 5.72 | -1 | 3 | Determined in a FLIPR calcium imaging assay using HEK cells heterologously expressing hMRGPRX2 | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/35704588 | |
PAMP-12 (human) | 2998 | None | 0 | Human | Functional | pEC50 | = | - | 7.46 | - | 1 | Unclassified | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/15823563 | |
SRIF-28 | 3676 | None | 11 | Human | Functional | pEC50 | = | - | 5.38 | -66069 | 12 | In a calcium mobilisation assay. | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/23396314 | |
substance P | 3694 | None | 31 | Human | Functional | pEC50 | = | - | 5.97 | -2089 | 12 | In a calcium mobilisation asay. | Guide to Pharmacology | - | - | - | - | - | - | https://pubmed.ncbi.nlm.nih.gov/28288109 |
Showing 1 to 20 of 24 entries