BindingDB logo
myBDB logout

BDBM50408834 CHEMBL346565

SMILES: CO[C@H]1CC[C@@H](CC1)C(=O)OCC1=C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1

InChI Key: InChIKey=URYWDKUIRABTHD-QWJIHBKKSA-N

Data: 2 Kd

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 2 hits for monomerid = 50408834   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408834
PNG
(CHEMBL346565)
Show SMILES CO[C@H]1CC[C@@H](CC1)C(=O)OCC1=C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C24H30N2O3/c1-26-13-15(14-29-24(27)16-6-8-18(28-2)9-7-16)10-20-19-4-3-5-21-23(19)17(12-25-21)11-22(20)26/h3-5,10,12,16,18,20,22,25H,6-9,11,13-14H2,1-2H3/t16-,18-,20-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 47.9n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50408834
PNG
(CHEMBL346565)
Show SMILES CO[C@H]1CC[C@@H](CC1)C(=O)OCC1=C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C24H30N2O3/c1-26-13-15(14-29-24(27)16-6-8-18(28-2)9-7-16)10-20-19-4-3-5-21-23(19)17(12-25-21)11-22(20)26/h3-5,10,12,16,18,20,22,25H,6-9,11,13-14H2,1-2H3/t16-,18-,20-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 57.5n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Blocking 5-HT2A receptor-mediated contractions of rat tail artery


J Med Chem 42: 659-68 (1999)


Article DOI: 10.1021/jm981092u
BindingDB Entry DOI: 10.7270/Q21J9C0D
More data for this
Ligand-Target Pair