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BDBM50006867 (2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2,2,2-trifluoro-acetylamino)-propionylamino]-ethylcarbamoyl}-ethyl)-carbamic acid adamantan-2-yl ester::CHEMBL313559

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

InChI Key: InChIKey=WMOBXDNVCGRSLN-HVIBCVJASA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006867   
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)
BDBM50006867
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2,2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C36H42F3N5O5/c1-35(18-26-19-41-28-10-6-5-9-27(26)28,44-34(48)49-31-24-14-21-13-22(16-24)17-25(31)15-21)32(46)42-20-29(23-7-3-2-4-8-23)43-30(45)11-12-40-33(47)36(37,38)39/h2-10,19,21-22,24-25,29,31,41H,11-18,20H2,1H3,(H,40,47)(H,42,46)(H,43,45)(H,44,48)/t21?,22?,24?,25?,29-,31?,35?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type 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)
BDBM50006867
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2,2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C36H42F3N5O5/c1-35(18-26-19-41-28-10-6-5-9-27(26)28,44-34(48)49-31-24-14-21-13-22(16-24)17-25(31)15-21)32(46)42-20-29(23-7-3-2-4-8-23)43-30(45)11-12-40-33(47)36(37,38)39/h2-10,19,21-22,24-25,29,31,41H,11-18,20H2,1H3,(H,40,47)(H,42,46)(H,43,45)(H,44,48)/t21?,22?,24?,25?,29-,31?,35?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type 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