BindingDB logo
myBDB logout

BDBM50263237 (4-(3-chlorophenyl)piperazin-1-yl)(5-(3-methoxyphenyl)-1-p-tolyl-1H-pyrazol-3-yl)methanone::CHEMBL479063

SMILES: COc1cccc(c1)-c1cc(nn1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1

InChI Key: InChIKey=UAHNACNOMGLOPA-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 = 50263237   
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))
BDBM50263237
PNG
((4-(3-chlorophenyl)piperazin-1-yl)(5-(3-methoxyphe...)
Show SMILES COc1cccc(c1)-c1cc(nn1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C28H27ClN4O2/c1-20-9-11-23(12-10-20)33-27(21-5-3-8-25(17-21)35-2)19-26(30-33)28(34)32-15-13-31(14-16-32)24-7-4-6-22(29)18-24/h3-12,17-19H,13-16H2,1-2H3
PDB

Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/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))
BDBM50263237
PNG
((4-(3-chlorophenyl)piperazin-1-yl)(5-(3-methoxyphe...)
Show SMILES COc1cccc(c1)-c1cc(nn1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C28H27ClN4O2/c1-20-9-11-23(12-10-20)33-27(21-5-3-8-25(17-21)35-2)19-26(30-33)28(34)32-15-13-31(14-16-32)24-7-4-6-22(29)18-24/h3-12,17-19H,13-16H2,1-2H3
PDB

Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 308n/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