BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.5
BDBM50083654

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))
BDBM50083654
PNG
(4-[(2,2-Dimethyl-propylamino)-methyl]-1-[3-(5-[1,2...)
Show SMILES CC(C)(C)CNCC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C24H36N6O/c1-23(2,3)15-25-16-24(31)8-11-29(12-9-24)10-4-5-19-14-26-22-7-6-20(13-21(19)22)30-17-27-28-18-30/h6-7,13-14,17-18,25-26,31H,4-5,8-12,15-16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 7.30n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-5-HT from recombinant human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells determined in vitro


Bioorg Med Chem Lett 9: 3369-74 (2000)


BindingDB Entry DOI: 10.7270/Q22F7MNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083654
PNG
(4-[(2,2-Dimethyl-propylamino)-methyl]-1-[3-(5-[1,2...)
Show SMILES CC(C)(C)CNCC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C24H36N6O/c1-23(2,3)15-25-16-24(31)8-11-29(12-9-24)10-4-5-19-14-26-22-7-6-20(13-21(19)22)30-17-27-28-18-30/h6-7,13-14,17-18,25-26,31H,4-5,8-12,15-16H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 85n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-5-HT from recombinant human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells determined in vitro


Bioorg Med Chem Lett 9: 3369-74 (2000)


BindingDB Entry DOI: 10.7270/Q22F7MNB
More data for this
Ligand-Target Pair