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BDBM50343698 (5-(3-ethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone::CHEMBL1773886

SMILES: CCOc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1

InChI Key: InChIKey=LZPIXONDRSEGMA-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50343698   
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))
BDBM50343698
PNG
((5-(3-ethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(qu...)
Show SMILES CCOc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H31N5O2/c1-3-40-28-9-6-8-25(20-28)29-22-35-32(36-31(29)24-13-11-23(2)12-14-24)33(39)38-17-15-37(16-18-38)27-19-26-7-4-5-10-30(26)34-21-27/h4-14,19-22H,3,15-18H2,1-2H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50343698
PNG
((5-(3-ethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(qu...)
Show SMILES CCOc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C33H31N5O2/c1-3-40-28-9-6-8-25(20-28)29-22-35-32(36-31(29)24-13-11-23(2)12-14-24)33(39)38-17-15-37(16-18-38)27-19-26-7-4-5-10-30(26)34-21-27/h4-14,19-22H,3,15-18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 34n/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac m...


Bioorg Med Chem Lett 21: 2911-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X
More data for this
Ligand-Target Pair