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SMILES: COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1

InChI Key: InChIKey=LFKAIYJWUFZJHL-UHFFFAOYSA-N

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 3 hits for monomerid = 50290921   
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 1B


(Homo sapiens (Human))
BDBM50290921
PNG
(4-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazine-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H37N5O2/c1-29-12-14-31(15-13-29)25-20-22(10-11-26(25)34-2)28-27(33)32-18-16-30(17-19-32)24-9-5-7-21-6-3-4-8-23(21)24/h5,7,9-11,20H,3-4,6,8,12-19H2,1-2H3,(H,28,33)
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1B receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50290921
PNG
(4-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazine-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H37N5O2/c1-29-12-14-31(15-13-29)25-20-22(10-11-26(25)34-2)28-27(33)32-18-16-30(17-19-32)24-9-5-7-21-6-3-4-8-23(21)24/h5,7,9-11,20H,3-4,6,8,12-19H2,1-2H3,(H,28,33)
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Article
26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50290921
PNG
(4-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazine-...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
Show InChI InChI=1S/C27H37N5O2/c1-29-12-14-31(15-13-29)25-20-22(10-11-26(25)34-2)28-27(33)32-18-16-30(17-19-32)24-9-5-7-21-6-3-4-8-23(21)24/h5,7,9-11,20H,3-4,6,8,12-19H2,1-2H3,(H,28,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
257n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for 5-hydroxytryptamine 1A receptor subtype


Bioorg Med Chem Lett 7: 3183-3188 (1997)


Article DOI: 10.1016/S0960-894X(97)10164-0
BindingDB Entry DOI: 10.7270/Q23R0SW9
More data for this
Ligand-Target Pair