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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50285317'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285317
PNG
(3-(4-{3-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C33H38N6O2/c34-32(40)22-6-12-30-26(16-22)28(18-38-30)20-2-8-24(9-3-20)36-14-1-15-37-25-10-4-21(5-11-25)29-19-39-31-13-7-23(33(35)41)17-27(29)31/h2,4,6-7,12-13,16-19,24-25,36-39H,1,3,5,8-11,14-15H2,(H2,34,40)(H2,35,41)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50285317
PNG
(3-(4-{3-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C33H38N6O2/c34-32(40)22-6-12-30-26(16-22)28(18-38-30)20-2-8-24(9-3-20)36-14-1-15-37-25-10-4-21(5-11-25)29-19-39-31-13-7-23(33(35)41)17-27(29)31/h2,4,6-7,12-13,16-19,24-25,36-39H,1,3,5,8-11,14-15H2,(H2,34,40)(H2,35,41)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1E receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair