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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 | |
CHEMBL5394725 | 195003 | None | 0 | Human | Binding | EC50 | = | 11220.18 | 4.95 | - | 1 | Total binding affinity to N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using furimazine as substrate measured for 3 hrs by NanoBRET assay | ChEMBL | 920.4 | 19 | 2 | 12 | 9.56 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccc(OCCCCCCNC(=O)c3ccc(-c4c5ccc(N(C)C)cc5[o+]c5cc(N(C)C)ccc45)c(C(=O)[O-])c3)cc2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 | |
CHEMBL5398023 | 195171 | None | 0 | Human | Binding | EC50 | = | 4466.84 | 5.35 | - | 1 | Total binding affinity to N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using furimazine as substrate measured for 3 hrs by NanoBRET assay | ChEMBL | 1084.4 | 30 | 2 | 17 | 8.08 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCOCCOCCOCCOCCOCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 | |
CHEMBL5405597 | 195543 | None | 0 | Human | Binding | EC50 | = | 3388.44 | 5.47 | - | 1 | Total binding affinity to N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using furimazine as substrate measured for 3 hrs by NanoBRET assay | ChEMBL | 996.4 | 24 | 2 | 15 | 8.05 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCOCCOCCOCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 | |
CHEMBL5410506 | 195773 | None | 0 | Human | Binding | Kd | = | 302.00 | 6.52 | -7 | 2 | Specific binding affinity to N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using furimazine as substrate measured for 3 hrs by NanoBRET assay | ChEMBL | 920.4 | 19 | 2 | 12 | 9.56 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCCCCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 | |
CHEMBL5410506 | 195773 | None | 0 | Human | Binding | Kd | = | 102.33 | 6.99 | -7 | 2 | Binding affinity to N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using vivazine as substrate measured for 180 mins by time-course saturation based NanoBRET assay | ChEMBL | 920.4 | 19 | 2 | 12 | 9.56 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCCCCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 | |
CHEMBL5410506 | 195773 | None | 0 | Human | Binding | EC50 | = | 891.25 | 6.05 | -7 | 2 | Total binding affinity to N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using furimazine as substrate measured for 3 hrs by NanoBRET assay | ChEMBL | 920.4 | 19 | 2 | 12 | 9.56 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCCCCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 | |
CHEMBL5410506 | 195773 | None | 0 | Human | Binding | IC50 | = | 1258.93 | 5.90 | -7 | 2 | Competitive total binding affinity to N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using furimazine as substrate at 1 uM measured for 3 hrs in presence of AF64394 by NanoBRET assay | ChEMBL | 920.4 | 19 | 2 | 12 | 9.56 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCCCCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 | |
CHEMBL5410506 | 195773 | None | 0 | Human | Binding | Ki | = | 295.12 | 6.53 | -7 | 2 | Competitive total binding affinity to N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using furimazine as substrate at 1 uM measured for 3 hrs in presence of AF64394 by NanoBRET assay | ChEMBL | 920.4 | 19 | 2 | 12 | 9.56 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCCCCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 | |
CHEMBL5410506 | 195773 | None | 0 | Human | Binding | EC50 | = | 1412.54 | 5.85 | -7 | 2 | Modulation of N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using furimazine as substrate at 1 uM measured for 3 hrs in presence of DPI by NanoBRET assay | ChEMBL | 920.4 | 19 | 2 | 12 | 9.56 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2ccccc2OCCCCCCNC(=O)c2ccc(-c3c4ccc(N(C)C)cc4[o+]c4cc(N(C)C)ccc34)c(C(=O)[O-])c2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 | |
CHEMBL5423734 | 196423 | None | 0 | Human | Binding | EC50 | = | 4466.84 | 5.35 | - | 1 | Total binding affinity to N-terminal 3xHA/Nluc-tagged full-length wild-type human GPR3 expressed in HEK293A cells using furimazine as substrate measured for 3 hrs by NanoBRET assay | ChEMBL | 920.4 | 19 | 2 | 12 | 9.56 | CC(C)Oc1cc(Cl)ccc1CNc1cc(-c2cccc(OCCCCCCNC(=O)c3ccc(-c4c5ccc(N(C)C)cc5[o+]c5cc(N(C)C)ccc45)c(C(=O)[O-])c3)c2)nc2ncnn12 | https://dx.doi.org/10.1021/acs.jmedchem.3c01707 |
Showing 1 to 10 of 10 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 | |
BENZONAPHTHYRIDINE | 57430 | None | 48 | Human | Functional | EC50 | = | 29000.00 | 4.54 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 180.1 | 0 | 0 | 2 | 2.78 | c1ccc2c(c1)nnc1ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CARBAZOLE | 92668 | None | 57 | Human | Functional | EC50 | = | 7600.00 | 5.12 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 167.1 | 0 | 1 | 0 | 3.32 | c1ccc2c(c1)[nH]c1ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL1721150 | 59667 | None | 2 | Human | Functional | EC50 | = | 60000.00 | 4.22 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 209.1 | 0 | 0 | 1 | 3.86 | CC1c2ccccc2-c2ccccc2N1C | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL1908211 | 67792 | None | 58 | Human | Functional | EC50 | = | 40000.00 | 4.40 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 181.1 | 0 | 0 | 1 | 3.33 | Cn1c2ccccc2c2ccccc21 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL4300174 | 167633 | None | 0 | Human | Functional | EC50 | = | 1310.00 | 5.88 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 297.0 | 0 | 0 | 0 | -0.07 | Fc1ccc2c(c1)[I+]c1ccccc1-2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL4300787 | 167687 | None | 0 | Human | Functional | EC50 | = | 6120.00 | 5.21 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 293.0 | 0 | 0 | 0 | 0.10 | Cc1ccc2c(c1)[I+]c1ccccc1-2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL4302437 | 167806 | None | 0 | Human | Functional | EC50 | = | 921.00 | 6.04 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 312.9 | 0 | 0 | 0 | 0.45 | Clc1ccc2c(c1)[I+]c1ccccc1-2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL4302860 | 167846 | None | 0 | Human | Functional | EC50 | = | 1890.00 | 5.72 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 309.0 | 1 | 0 | 1 | -0.20 | COc1ccc2c(c1)[I+]c1ccccc1-2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL45245 | 173344 | None | 66 | Human | Functional | EC50 | = | 45000.00 | 4.35 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 195.1 | 0 | 1 | 1 | 2.68 | O=c1[nH]c2ccccc2c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5394629 | 194995 | None | 13 | Human | Functional | EC50 | = | 21000.00 | 4.68 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 209.1 | 1 | 0 | 1 | 3.32 | CN(C)C1c2ccccc2-c2ccccc21 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5396263 | 195073 | None | 0 | Human | Functional | EC50 | = | 19300.00 | 4.71 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 358.9 | 0 | 0 | 2 | 0.12 | FC1(F)Oc2cc3c(cc2O1)-c1ccccc1[I+]3 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5399736 | 195267 | None | 0 | Human | Functional | EC50 | = | 260.00 | 6.58 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 362.9 | 1 | 0 | 1 | 0.69 | FC(F)(F)Oc1ccc2c(c1)[I+]c1ccccc1-2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5404192 | 195458 | None | 0 | Human | Functional | EC50 | = | 66000.00 | 4.18 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 283.1 | 1 | 0 | 2 | 3.97 | CC(C)(C)[S+]([O-])N=C1c2ccccc2-c2ccccc21 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5405489 | 195535 | None | 54 | Human | Functional | EC50 | = | 5100.00 | 5.29 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 216.0 | 0 | 0 | 2 | 2.50 | O=S1(=O)c2ccccc2-c2ccccc21 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5409202 | 195690 | None | 0 | Human | Functional | EC50 | = | 455.00 | 6.34 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 377.0 | 1 | 0 | 1 | 1.00 | Cc1ccc2c(c1)[I+]c1cc(OC(F)(F)F)ccc1-2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5409214 | 195691 | None | 0 | Human | Functional | EC50 | = | 937.00 | 6.03 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 347.0 | 0 | 0 | 0 | 0.81 | FC(F)(F)c1ccc2c(c1)[I+]c1ccccc1-2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5410016 | 195746 | None | 18 | Human | Functional | EC50 | = | 86000.00 | 4.07 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 193.1 | 0 | 0 | 1 | 3.70 | Cc1nc2ccccc2c2ccccc12 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5415054 | 196008 | None | 0 | Human | Functional | EC50 | = | 137.00 | 6.86 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 380.9 | 1 | 0 | 1 | 0.83 | Fc1ccc2c(c1)[I+]c1cc(OC(F)(F)F)ccc1-2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5421637 | 196335 | None | 0 | Human | Functional | EC50 | = | 1340.00 | 5.87 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 324.0 | 1 | 0 | 2 | -0.30 | O=[N+]([O-])c1ccc2c(c1)[I+]c1ccccc1-2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 | |
CHEMBL5425788 | 196521 | None | 0 | Human | Functional | EC50 | = | 230.00 | 6.64 | - | 1 | Agonist activity at human GPR3 expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 30 mins by HTRF assay | ChEMBL | 398.9 | 1 | 0 | 1 | 0.97 | Fc1cc2c(cc1F)-c1ccc(OC(F)(F)F)cc1[I+]2 | https://dx.doi.org/10.1016/j.bmcl.2023.129427 |
Showing 1 to 20 of 33 entries