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BDBM50187385 CHEMBL211012::N-{3-[4-(1-Cyclohexylmethanesulfonyl-piperidin-4-ylmethyl)-piperizine-1-yl]-phenyl}-acetamide

SMILES: CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1

InChI Key: InChIKey=KSDUDINTMMXLNJ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50187385   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50187385
PNG
(CHEMBL211012 | N-{3-[4-(1-Cyclohexylmethanesulfony...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C25H40N4O3S/c1-21(30)26-24-8-5-9-25(18-24)28-16-14-27(15-17-28)19-22-10-12-29(13-11-22)33(31,32)20-23-6-3-2-4-7-23/h5,8-9,18,22-23H,2-4,6-7,10-17,19-20H2,1H3,(H,26,30)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50187385
PNG
(CHEMBL211012 | N-{3-[4-(1-Cyclohexylmethanesulfony...)
Show SMILES CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1
Show InChI InChI=1S/C25H40N4O3S/c1-21(30)26-24-8-5-9-25(18-24)28-16-14-27(15-17-28)19-22-10-12-29(13-11-22)33(31,32)20-23-6-3-2-4-7-23/h5,8-9,18,22-23H,2-4,6-7,10-17,19-20H2,1H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair