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BDBM50006877 ({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl}-methyl)-phosphonic acid monoethyl ester (1.5 hydrate)::CHEMBL83244

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

InChI Key: InChIKey=UGTJSBWGFKJUCR-NIBRLOSISA-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 = 50006877   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(RAT)
BDBM50006877
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CCOP(O)(=O)CC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C35H45N4O7P/c1-3-45-47(43,44)21-31(40)38-30(24-9-5-4-6-10-24)20-37-33(41)35(2,18-27-19-36-29-12-8-7-11-28(27)29)39-34(42)46-32-25-14-22-13-23(16-25)17-26(32)15-22/h4-12,19,22-23,25-26,30,32,36H,3,13-18,20-21H2,1-2H3,(H,37,41)(H,38,40)(H,39,42)(H,43,44)/t22?,23?,25?,26?,30-,32?,35?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/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)
BDBM50006877
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CCOP(O)(=O)CC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C35H45N4O7P/c1-3-45-47(43,44)21-31(40)38-30(24-9-5-4-6-10-24)20-37-33(41)35(2,18-27-19-36-29-12-8-7-11-28(27)29)39-34(42)46-32-25-14-22-13-23(16-25)17-26(32)15-22/h4-12,19,22-23,25-26,30,32,36H,3,13-18,20-21H2,1-2H3,(H,37,41)(H,38,40)(H,39,42)(H,43,44)/t22?,23?,25?,26?,30-,32?,35?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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