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BDBM50006872 CHEMBL86702::{2-(1H-Indol-3-yl)-1-methyl-1-[2-phenyl-2-(3-trifluoromethanesulfonylamino-propionylamino)-ethylcarbamoyl]-ethyl}-carbamic acid adamantan-2-yl ester

SMILES: CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=ZFPHKXNPMLFGIA-CSONWYTFSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006872   
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


(MOUSE)
BDBM50006872
PNG
(CHEMBL86702 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-phe...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C35H42F3N5O6S/c1-34(18-26-19-39-28-10-6-5-9-27(26)28,43-33(46)49-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)40-20-29(23-7-3-2-4-8-23)42-30(44)11-12-41-50(47,48)35(36,37)38/h2-10,19,21-22,24-25,29,31,39,41H,11-18,20H2,1H3,(H,40,45)(H,42,44)(H,43,46)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/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
Cholecystokinin receptor


(RAT)
BDBM50006872
PNG
(CHEMBL86702 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-phe...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C35H42F3N5O6S/c1-34(18-26-19-39-28-10-6-5-9-27(26)28,43-33(46)49-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)40-20-29(23-7-3-2-4-8-23)42-30(44)11-12-41-50(47,48)35(36,37)38/h2-10,19,21-22,24-25,29,31,39,41H,11-18,20H2,1H3,(H,40,45)(H,42,44)(H,43,46)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 680n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Compound was 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