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BDBM50244275 1'-{[3-methyl-1-(3-methylpyridin-2-yl)-1H-pyrazol-4-yl]methyl}-3H-spiro[2-benzofuran-1,4'-piperidine]::CHEMBL470951

SMILES: Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1C

InChI Key: InChIKey=SLRRKIAIUARVQX-UHFFFAOYSA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50244275   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50244275
PNG
(1'-{[3-methyl-1-(3-methylpyridin-2-yl)-1H-pyrazol-...)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1C
Show InChI InChI=1S/C23H26N4O/c1-17-6-5-11-24-22(17)27-15-20(18(2)25-27)14-26-12-9-23(10-13-26)21-8-4-3-7-19(21)16-28-23/h3-8,11,15H,9-10,12-14,16H2,1-2H3
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PC cid
PC sid
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Article
PubMed
n/an/a 4.40E+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))
BDBM50244275
PNG
(1'-{[3-methyl-1-(3-methylpyridin-2-yl)-1H-pyrazol-...)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1C
Show InChI InChI=1S/C23H26N4O/c1-17-6-5-11-24-22(17)27-15-20(18(2)25-27)14-26-12-9-23(10-13-26)21-8-4-3-7-19(21)16-28-23/h3-8,11,15H,9-10,12-14,16H2,1-2H3
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Article
PubMed
n/an/a 1.30E+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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50244275
PNG
(1'-{[3-methyl-1-(3-methylpyridin-2-yl)-1H-pyrazol-...)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCc1ccccc21)-c1ncccc1C
Show InChI InChI=1S/C23H26N4O/c1-17-6-5-11-24-22(17)27-15-20(18(2)25-27)14-26-12-9-23(10-13-26)21-8-4-3-7-19(21)16-28-23/h3-8,11,15H,9-10,12-14,16H2,1-2H3
PDB

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UniChem

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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