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BDBM50263185 (1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone::CHEMBL474067

SMILES: CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1

InChI Key: InChIKey=TXTQRXUJILFJBO-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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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 = 50263185   
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))
BDBM50263185
PNG
((1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H30FN5O2/c1-3-40-26-9-6-8-24(19-26)38-21-30(35-31(38)27-12-11-22(2)17-28(27)33)32(39)37-15-13-36(14-16-37)25-18-23-7-4-5-10-29(23)34-20-25/h4-12,17-21H,3,13-16H2,1-2H3
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 0.130n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50263185
PNG
((1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H30FN5O2/c1-3-40-26-9-6-8-24(19-26)38-21-30(35-31(38)27-12-11-22(2)17-28(27)33)32(39)37-15-13-36(14-16-37)25-18-23-7-4-5-10-29(23)34-20-25/h4-12,17-21H,3,13-16H2,1-2H3
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Article
PubMed
n/an/a 0.240n/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))
BDBM50263185
PNG
((1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C32H30FN5O2/c1-3-40-26-9-6-8-24(19-26)38-21-30(35-31(38)27-12-11-22(2)17-28(27)33)32(39)37-15-13-36(14-16-37)25-18-23-7-4-5-10-29(23)34-20-25/h4-12,17-21H,3,13-16H2,1-2H3
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CCK2 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