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BDBM50244247 1'-{[1-(3-chloropyridin-2-yl)-3-methyl-1H-pyrazol-4-yl]methyl}-3H-spiro[2-benzofuran-1,4'-piperidine]::CHEMBL512520

SMILES: Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1Cl

InChI Key: InChIKey=WCFLEQVQRJVHDH-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50244247   
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))
BDBM50244247
PNG
(1'-{[1-(3-chloropyridin-2-yl)-3-methyl-1H-pyrazol-...)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1Cl
Show InChI InChI=1S/C22H23ClN4O/c1-16-18(14-27(25-16)21-20(23)7-4-10-24-21)13-26-11-8-22(9-12-26)19-6-3-2-5-17(19)15-28-22/h2-7,10,14H,8-9,11-13,15H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50244247
PNG
(1'-{[1-(3-chloropyridin-2-yl)-3-methyl-1H-pyrazol-...)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1Cl
Show InChI InChI=1S/C22H23ClN4O/c1-16-18(14-27(25-16)21-20(23)7-4-10-24-21)13-26-11-8-22(9-12-26)19-6-3-2-5-17(19)15-28-22/h2-7,10,14H,8-9,11-13,15H2,1H3
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PubMed
n/an/a 7.80E+3n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50244247
PNG
(1'-{[1-(3-chloropyridin-2-yl)-3-methyl-1H-pyrazol-...)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1Cl
Show InChI InChI=1S/C22H23ClN4O/c1-16-18(14-27(25-16)21-20(23)7-4-10-24-21)13-26-11-8-22(9-12-26)19-6-3-2-5-17(19)15-28-22/h2-7,10,14H,8-9,11-13,15H2,1H3
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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