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BDBM50263103 (2-(2,6-difluorophenyl)-1-(3-ethoxyphenyl)-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone::CHEMBL473457

SMILES: CCOc1cccc(c1)-n1cc(nc1-c1c(F)cccc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1

InChI Key: InChIKey=BNCVYQGQRCUXJK-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50263103   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50263103
PNG
((2-(2,6-difluorophenyl)-1-(3-ethoxyphenyl)-1H-imid...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1c(F)cccc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 |(-.9,-39.94,;-2.01,-41,;-3.49,-40.57,;-4.61,-41.64,;-6.09,-41.2,;-7.2,-42.28,;-6.84,-43.77,;-5.36,-44.19,;-4.24,-43.13,;-5,-45.69,;-3.49,-46.03,;-3.36,-47.57,;-4.77,-48.17,;-5.79,-47.01,;-7.3,-47.27,;-7.84,-48.71,;-6.85,-49.89,;-9.35,-48.96,;-10.34,-47.77,;-9.8,-46.33,;-8.28,-46.07,;-7.74,-44.63,;-2.03,-48.36,;-2.06,-49.9,;-.69,-47.61,;.64,-48.4,;1.99,-47.66,;2.02,-46.11,;.69,-45.32,;-.66,-46.07,;3.37,-45.37,;3.39,-43.84,;4.73,-43.09,;6.06,-43.88,;7.4,-43.15,;8.71,-43.94,;8.69,-45.48,;7.34,-46.22,;6.02,-45.42,;4.68,-46.17,)|
Show InChI InChI=1S/C32H28F2N4O2/c1-2-40-26-10-5-9-25(20-26)38-21-29(35-31(38)30-27(33)11-6-12-28(30)34)32(39)37-17-15-36(16-18-37)24-14-13-22-7-3-4-8-23(22)19-24/h3-14,19-21H,2,15-18H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CCK1 receptor


Bioorg Med Chem Lett 18: 4393-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50263103
PNG
((2-(2,6-difluorophenyl)-1-(3-ethoxyphenyl)-1H-imid...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1c(F)cccc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 |(-.9,-39.94,;-2.01,-41,;-3.49,-40.57,;-4.61,-41.64,;-6.09,-41.2,;-7.2,-42.28,;-6.84,-43.77,;-5.36,-44.19,;-4.24,-43.13,;-5,-45.69,;-3.49,-46.03,;-3.36,-47.57,;-4.77,-48.17,;-5.79,-47.01,;-7.3,-47.27,;-7.84,-48.71,;-6.85,-49.89,;-9.35,-48.96,;-10.34,-47.77,;-9.8,-46.33,;-8.28,-46.07,;-7.74,-44.63,;-2.03,-48.36,;-2.06,-49.9,;-.69,-47.61,;.64,-48.4,;1.99,-47.66,;2.02,-46.11,;.69,-45.32,;-.66,-46.07,;3.37,-45.37,;3.39,-43.84,;4.73,-43.09,;6.06,-43.88,;7.4,-43.15,;8.71,-43.94,;8.69,-45.48,;7.34,-46.22,;6.02,-45.42,;4.68,-46.17,)|
Show InChI InChI=1S/C32H28F2N4O2/c1-2-40-26-10-5-9-25(20-26)38-21-29(35-31(38)30-27(33)11-6-12-28(30)34)32(39)37-17-15-36(16-18-37)24-14-13-22-7-3-4-8-23(22)19-24/h3-14,19-21H,2,15-18H2,1H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 4.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human CCK1 receptor


Bioorg Med Chem Lett 18: 4393-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0
More data for this
Ligand-Target Pair