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BDBM50008211 4-(8-Aza-spiro[4.5]dec-8-ylcarbamoyl)-4-[(naphthalene-2-carbonyl)-amino]-butyric acid::CHEMBL339453

SMILES: OC(=O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1

InChI Key: InChIKey=FDOWAHFNCKHPNF-UHFFFAOYSA-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 = 50008211   
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
CCKBR


(RAT)
BDBM50008211
PNG
(4-(8-Aza-spiro[4.5]dec-8-ylcarbamoyl)-4-[(naphthal...)
Show SMILES OC(=O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1
Show InChI InChI=1S/C25H31N3O4/c29-22(30)10-9-21(24(32)27-28-15-13-25(14-16-28)11-3-4-12-25)26-23(31)20-8-7-18-5-1-2-6-19(18)17-20/h1-2,5-8,17,21H,3-4,9-16H2,(H,26,31)(H,27,32)(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 300n/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
Cholecystokinin receptor


(RAT)
BDBM50008211
PNG
(4-(8-Aza-spiro[4.5]dec-8-ylcarbamoyl)-4-[(naphthal...)
Show SMILES OC(=O)CCC(NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1
Show InChI InChI=1S/C25H31N3O4/c29-22(30)10-9-21(24(32)27-28-15-13-25(14-16-28)11-3-4-12-25)26-23(31)20-8-7-18-5-1-2-6-19(18)17-20/h1-2,5-8,17,21H,3-4,9-16H2,(H,26,31)(H,27,32)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+3n/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