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SMILES: CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(CC(O)=O)c2)C1=O)c1ccccc1

InChI Key: InChIKey=NURGVFFFAXQWAP-UHFFFAOYSA-N

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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 = 50043567   
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)
BDBM50043567
PNG
(CHEMBL137567 | {3-[3-(1-Methyl-2-oxo-5-phenyl-2,3-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(CC(O)=O)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H22N4O4/c1-29-20-13-6-5-12-19(20)22(17-9-3-2-4-10-17)27-23(24(29)32)28-25(33)26-18-11-7-8-16(14-18)15-21(30)31/h2-14,23H,15H2,1H3,(H,30,31)(H2,26,28,33)
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PC cid
PC sid
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Similars

PubMed
n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue


J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50043567
PNG
(CHEMBL137567 | {3-[3-(1-Methyl-2-oxo-5-phenyl-2,3-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(CC(O)=O)c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H22N4O4/c1-29-20-13-6-5-12-19(20)22(17-9-3-2-4-10-17)27-23(24(29)32)28-25(33)26-18-11-7-8-16(14-18)15-21(30)31/h2-14,23H,15H2,1H3,(H,30,31)(H2,26,28,33)
PDB

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor


J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair