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BDBM50412128 CHEMBL497127

SMILES: CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1

InChI Key: InChIKey=KRKQYFXRMDVHOE-UHFFFAOYSA-N

Data: 4 KI

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 = 50412128   
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 1D


(Homo sapiens (Human))
BDBM50412128
PNG
(CHEMBL497127)
Show SMILES CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C28H35N3O2/c1-4-31(22(3)32)25-8-5-7-24(20-25)19-23-13-15-30(16-14-23)17-18-33-28-10-6-9-27-26(28)12-11-21(2)29-27/h5-12,20,23H,4,13-19H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412128
PNG
(CHEMBL497127)
Show SMILES CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C28H35N3O2/c1-4-31(22(3)32)25-8-5-7-24(20-25)19-23-13-15-30(16-14-23)17-18-33-28-10-6-9-27-26(28)12-11-21(2)29-27/h5-12,20,23H,4,13-19H2,1-3H3
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY100635 from human recombinant 5HT1A receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412128
PNG
(CHEMBL497127)
Show SMILES CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C28H35N3O2/c1-4-31(22(3)32)25-8-5-7-24(20-25)19-23-13-15-30(16-14-23)17-18-33-28-10-6-9-27-26(28)12-11-21(2)29-27/h5-12,20,23H,4,13-19H2,1-3H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1B receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50412128
PNG
(CHEMBL497127)
Show SMILES CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C28H35N3O2/c1-4-31(22(3)32)25-8-5-7-24(20-25)19-23-13-15-30(16-14-23)17-18-33-28-10-6-9-27-26(28)12-11-21(2)29-27/h5-12,20,23H,4,13-19H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at SERT in rat cortical synaptosomes


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair