new BindingDB logo
myBDB logout

BDBM50244313 1'-{[1-(3-chloropyridin-2-yl)-1H-pyrazol-4-yl]methyl}-3H-spiro[2-benzofuran-1,4'-piperidine]::CHEMBL471299

SMILES: Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1c(Cl)cccc1NS(C)(=O)=O

InChI Key: InChIKey=JWHOPIWZAFADGZ-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50244313   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50244313
PNG
(1'-{[1-(3-chloropyridin-2-yl)-1H-pyrazol-4-yl]meth...)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1c(Cl)cccc1NS(C)(=O)=O
Show InChI InChI=1S/C24H27ClN4O3S/c1-17-19(15-29(26-17)23-21(25)8-5-9-22(23)27-33(2,30)31)14-28-12-10-24(11-13-28)20-7-4-3-6-18(20)16-32-24/h3-9,15,27H,10-14,16H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphin from human cloned mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 3778-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.036
BindingDB Entry DOI: 10.7270/Q2XD11G6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50244313
PNG
(1'-{[1-(3-chloropyridin-2-yl)-1H-pyrazol-4-yl]meth...)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1c(Cl)cccc1NS(C)(=O)=O
Show InChI InChI=1S/C24H27ClN4O3S/c1-17-19(15-29(26-17)23-21(25)8-5-9-22(23)27-33(2,30)31)14-28-12-10-24(11-13-28)20-7-4-3-6-18(20)16-32-24/h3-9,15,27H,10-14,16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 3778-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.036
BindingDB Entry DOI: 10.7270/Q2XD11G6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50244313
PNG
(1'-{[1-(3-chloropyridin-2-yl)-1H-pyrazol-4-yl]meth...)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1c(Cl)cccc1NS(C)(=O)=O
Show InChI InChI=1S/C24H27ClN4O3S/c1-17-19(15-29(26-17)23-21(25)8-5-9-22(23)27-33(2,30)31)14-28-12-10-24(11-13-28)20-7-4-3-6-18(20)16-32-24/h3-9,15,27H,10-14,16H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG in HEK293 cell membrane


Bioorg Med Chem Lett 18: 3778-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.036
BindingDB Entry DOI: 10.7270/Q2XD11G6
More data for this
Ligand-Target Pair