BindingDB logo
myBDB logout

BDBM50538100 CHEMBL4648350

SMILES: CNCCc1c[nH]c2cccc(O)c12

InChI Key: InChIKey=MTJOWJUQGYWRHT-UHFFFAOYSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50538100   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50538100
PNG
(CHEMBL4648350)
Show SMILES CNCCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C11H14N2O/c1-12-6-5-8-7-13-9-3-2-4-10(14)11(8)9/h2-4,7,12-14H,5-6H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 8.40n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by...


J Nat Prod 83: 461-467 (2020)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50538100
PNG
(CHEMBL4648350)
Show SMILES CNCCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C11H14N2O/c1-12-6-5-8-7-13-9-3-2-4-10(14)11(8)9/h2-4,7,12-14H,5-6H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 19n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by...


J Nat Prod 83: 461-467 (2020)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50538100
PNG
(CHEMBL4648350)
Show SMILES CNCCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C11H14N2O/c1-12-6-5-8-7-13-9-3-2-4-10(14)11(8)9/h2-4,7,12-14H,5-6H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 19n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by...


J Nat Prod 83: 461-467 (2020)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50538100
PNG
(CHEMBL4648350)
Show SMILES CNCCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C11H14N2O/c1-12-6-5-8-7-13-9-3-2-4-10(14)11(8)9/h2-4,7,12-14H,5-6H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 8.30n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by...


J Nat Prod 83: 461-467 (2020)

More data for this
Ligand-Target Pair