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BDBM50262973 (1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-tolyl-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone::CHEMBL478398

SMILES: Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1

InChI Key: InChIKey=CMVJMSOSNIIAPW-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50262973   
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))
BDBM50262973
PNG
((1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-tolyl...)
Show SMILES Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H30N4O3/c1-23-6-8-25(9-7-23)32-34-29(22-37(32)28-12-13-30-31(21-28)40-19-18-39-30)33(38)36-16-14-35(15-17-36)27-11-10-24-4-2-3-5-26(24)20-27/h2-13,20-22H,14-19H2,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.420n/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))
BDBM50262973
PNG
((1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-p-tolyl...)
Show SMILES Cc1ccc(cc1)-c1nc(cn1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C33H30N4O3/c1-23-6-8-25(9-7-23)32-34-29(22-37(32)28-12-13-30-31(21-28)40-19-18-39-30)33(38)36-16-14-35(15-17-36)27-11-10-24-4-2-3-5-26(24)20-27/h2-13,20-22H,14-19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.990n/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