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BDBM50166787 CHEMBL195235::{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-phenyl}-pyrrolidin-1-yl-methanone

SMILES: Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1

InChI Key: InChIKey=SMZGEEUBHKHSFJ-UHFFFAOYSA-N

Data: 1 KI  3 IC50

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 = 50166787   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50166787
PNG
(CHEMBL195235 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1
Show InChI InChI=1S/C21H19ClN2O2S/c22-16-9-7-15(8-10-16)20-23-17(14-27-20)13-26-19-6-2-1-5-18(19)21(25)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel electrophysiology in inactivated state expressed in HEK293 cells using Voltage/Ion Probe Re...


Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50166787
PNG
(CHEMBL195235 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1
Show InChI InChI=1S/C21H19ClN2O2S/c22-16-9-7-15(8-10-16)20-23-17(14-27-20)13-26-19-6-2-1-5-18(19)21(25)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay


Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50166787
PNG
(CHEMBL195235 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1
Show InChI InChI=1S/C21H19ClN2O2S/c22-16-9-7-15(8-10-16)20-23-17(14-27-20)13-26-19-6-2-1-5-18(19)21(25)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vivo inhibitory concentration against diplacement of 35[S] MK-499 binding to hERG channel expressed in HEK293 cells


Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50166787
PNG
(CHEMBL195235 | {2-[2-(4-Chloro-phenyl)-thiazol-4-y...)
Show SMILES Clc1ccc(cc1)-c1nc(COc2ccccc2C(=O)N2CCCC2)cs1
Show InChI InChI=1S/C21H19ClN2O2S/c22-16-9-7-15(8-10-16)20-23-17(14-27-20)13-26-19-6-2-1-5-18(19)21(25)24-11-3-4-12-24/h1-2,5-10,14H,3-4,11-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay


Bioorg Med Chem Lett 15: 2943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.093
BindingDB Entry DOI: 10.7270/Q2X929TB
More data for this
Ligand-Target Pair