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SMILES: OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)C1CC2CCCCC2CN1

InChI Key: InChIKey=WAFAESIQVGUZCU-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50008197   
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 type A


(RAT)
BDBM50008197
PNG
(4-(3-Chloro-benzoylamino)-5-(decahydro-isoquinolin...)
Show SMILES OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)C1CC2CCCCC2CN1
Show InChI InChI=1S/C21H27ClN2O4/c22-16-7-3-6-14(10-16)21(28)24-17(8-9-19(25)26)20(27)18-11-13-4-1-2-5-15(13)12-23-18/h3,6-7,10,13,15,17-18,23H,1-2,4-5,8-9,11-12H2,(H,24,28)(H,25,26)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.88E+4n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Concentration required to inhibit by 50% specific binding of [125I](BH)-CCK-8 to cholecystokinin type A receptor in rat pancreatic acini


J Med Chem 35: 28-38 (1992)


BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50008197
PNG
(4-(3-Chloro-benzoylamino)-5-(decahydro-isoquinolin...)
Show SMILES OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)C1CC2CCCCC2CN1
Show InChI InChI=1S/C21H27ClN2O4/c22-16-7-3-6-14(10-16)21(28)24-17(8-9-19(25)26)20(27)18-11-13-4-1-2-5-15(13)12-23-18/h3,6-7,10,13,15,17-18,23H,1-2,4-5,8-9,11-12H2,(H,24,28)(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B receptor in rat brain cortex


J Med Chem 35: 28-38 (1992)


BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair