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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.5
BDBM50065422

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50065422
PNG
((R)-2-(4-Fluoro-phenyl)-2-{1-[2-fluoro-3-(5-[1,2,4...)
Show SMILES OC[C@H](NC1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N6O/c27-20-3-1-18(2-4-20)26(15-35)32-22-7-9-33(10-8-22)14-21(28)11-19-13-29-25-6-5-23(12-24(19)25)34-16-30-31-17-34/h1-6,12-13,16-17,21-22,26,29,32,35H,7-11,14-15H2/t21?,26-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 41: 2667-70 (1998)


Article DOI: 10.1021/jm980204e
BindingDB Entry DOI: 10.7270/Q22Z14PW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50065422
PNG
((R)-2-(4-Fluoro-phenyl)-2-{1-[2-fluoro-3-(5-[1,2,4...)
Show SMILES OC[C@H](NC1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N6O/c27-20-3-1-18(2-4-20)26(15-35)32-22-7-9-33(10-8-22)14-21(28)11-19-13-29-25-6-5-23(12-24(19)25)34-16-30-31-17-34/h1-6,12-13,16-17,21-22,26,29,32,35H,7-11,14-15H2/t21?,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist induced [35S]-GTP-gammaS, binding in CHO cells expressing 5-HT 1d receptor


J Med Chem 41: 2667-70 (1998)


Article DOI: 10.1021/jm980204e
BindingDB Entry DOI: 10.7270/Q22Z14PW
More data for this
Ligand-Target Pair