Found 9 hits of ki for monomerid = 50527831 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50527831
(CHEMBL4571380)Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin... |
J Med Chem 63: 4334-4348 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50527831
(CHEMBL4571380)Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113983
BindingDB Entry DOI: 10.7270/Q29027V8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Mus musculus) | BDBM50527831
(CHEMBL4571380)Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113983
BindingDB Entry DOI: 10.7270/Q29027V8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Mus musculus) | BDBM50527831
(CHEMBL4571380)Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description
Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin... |
J Med Chem 63: 4334-4348 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Mus musculus) | BDBM50527831
(CHEMBL4571380)Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description
Displacement of [3H]R-PIA from recombinant mouse A1AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting meth... |
J Med Chem 63: 4334-4348 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Mus musculus) | BDBM50527831
(CHEMBL4571380)Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113983
BindingDB Entry DOI: 10.7270/Q29027V8 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50527831
(CHEMBL4571380)Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) measured after 90 mins by microbeta counting analysis |
J Med Chem 63: 4334-4348 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50527831
(CHEMBL4571380)Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of TSPO (unknown origin) |
J Med Chem 63: 4334-4348 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50527831
(CHEMBL4571380)Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N5O4/c1-37-21-13-17(7-9-20(21)34)11-12-29-27-23-28(32-22(31-27)10-8-16-5-3-2-4-6-16)33(15-30-23)24-18-14-19(18)25(35)26(24)36/h2-7,9,13,15,18-19,24-26,34-36H,11-12,14H2,1H3,(H,29,31,32)/t18-,19+,24+,25+,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) measured after 90 mins by microbeta counting analysis |
J Med Chem 63: 4334-4348 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00235
BindingDB Entry DOI: 10.7270/Q2JS9TWH |
More data for this
Ligand-Target Pair | |
Search and Browse
