BDBM50016950 CHEMBL3264204
SMILES: COc1cc(\C=C\C(=O)NCCn2c(cc3ccccc23)C(F)(F)F)cc(OC)c1OC
InChI Key: InChIKey=WUYOECAJFJFUFC-CMDGGOBGSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50016950 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 |
|---|
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50016950
(CHEMBL3264204)Show SMILES COc1cc(\C=C\C(=O)NCCn2c(cc3ccccc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C23H23F3N2O4/c1-30-18-12-15(13-19(31-2)22(18)32-3)8-9-21(29)27-10-11-28-17-7-5-4-6-16(17)14-20(28)23(24,25)26/h4-9,12-14H,10-11H2,1-3H3,(H,27,29)/b9-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Inhibition of 5HT2A receptor (unknown origin) |
Eur J Med Chem 82: 521-35 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.076
BindingDB Entry DOI: 10.7270/Q2C53ND4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50016950
(CHEMBL3264204)Show SMILES COc1cc(\C=C\C(=O)NCCn2c(cc3ccccc23)C(F)(F)F)cc(OC)c1OC Show InChI InChI=1S/C23H23F3N2O4/c1-30-18-12-15(13-19(31-2)22(18)32-3)8-9-21(29)27-10-11-28-17-7-5-4-6-16(17)14-20(28)23(24,25)26/h4-9,12-14H,10-11H2,1-3H3,(H,27,29)/b9-8+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of 5-HT2B receptor (unknown origin) |
J Med Chem 57: 4454-65 (2014)
Article DOI: 10.1021/jm401431x
BindingDB Entry DOI: 10.7270/Q2CR5VXZ |
More data for this
Ligand-Target Pair | |
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