BindingDB logo
myBDB logout

BDBM50455597 CHEMBL2112334

SMILES: [H][C@](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)Cc1cc(O)no1)c1ccccc1

InChI Key: InChIKey=PKBVDPGCTMEGDI-LCPBDYDYSA-N

Data: 2 IC50

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 = 50455597   
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


(RAT)
BDBM50455597
PNG
(CHEMBL2112334)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)Cc1cc(O)no1)c1ccccc1
Show InChI InChI=1S/C36H41N5O6/c1-36(18-26-19-37-29-10-6-5-9-28(26)29,40-35(45)46-33-24-12-21-11-22(14-24)15-25(33)13-21)34(44)38-20-30(23-7-3-2-4-8-23)39-31(42)16-27-17-32(43)41-47-27/h2-10,17,19,21-22,24-25,30,33,37H,11-16,18,20H2,1H3,(H,38,44)(H,39,42)(H,40,45)(H,41,43)/t21?,22?,24?,25?,30-,33?,36+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455597
PNG
(CHEMBL2112334)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)Cc1cc(O)no1)c1ccccc1
Show InChI InChI=1S/C36H41N5O6/c1-36(18-26-19-37-29-10-6-5-9-28(26)29,40-35(45)46-33-24-12-21-11-22(14-24)15-25(33)13-21)34(44)38-20-30(23-7-3-2-4-8-23)39-31(42)16-27-17-32(43)41-47-27/h2-10,17,19,21-22,24-25,30,33,37H,11-16,18,20H2,1H3,(H,38,44)(H,39,42)(H,40,45)(H,41,43)/t21?,22?,24?,25?,30-,33?,36+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair