Found 8 hits for monomerid = 50517292 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine A1 receptor
(Mus musculus) | BDBM50517292
(CHEMBL4470080)Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | 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]N6-R-phenylisopropyladenosine from mouse A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr... |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50517292
(CHEMBL4470080)Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9 | 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]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr... |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50517292
(CHEMBL4470080)Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 153 | 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 5HT2B (unknown origin) |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50517292
(CHEMBL4470080)Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 238 | 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 5HT2C (unknown origin) |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Mus musculus) | BDBM50517292
(CHEMBL4470080)Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 612 | 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]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from mouse A3A adenosine receptor expressed in CHO cell membranes after ... |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50517292
(CHEMBL4470080)Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.93E+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 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50517292
(CHEMBL4470080)Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.00E+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 muscarinic M3 receptor (unknown origin) |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50517292
(CHEMBL4470080)Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.75E+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 DAT (unknown origin) |
J Med Chem 62: 1502-1522 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01662 |
More data for this
Ligand-Target Pair | |
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