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BDBM50006879 ({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl}-methyl)-phosphonic acid (1.5 hydrate)::CHEMBL315055

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

InChI Key: InChIKey=UFPWVIGWXJVEAI-MTBBWJQYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006879   
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)
BDBM50006879
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C33H41N4O7P/c1-33(16-25-17-34-27-10-6-5-9-26(25)27,37-32(40)44-30-23-12-20-11-21(14-23)15-24(30)13-20)31(39)35-18-28(22-7-3-2-4-8-22)36-29(38)19-45(41,42)43/h2-10,17,20-21,23-24,28,30,34H,11-16,18-19H2,1H3,(H,35,39)(H,36,38)(H,37,40)(H2,41,42,43)/t20?,21?,23?,24?,28-,30?,33?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/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
Cholecystokinin receptor


(RAT)
BDBM50006879
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C33H41N4O7P/c1-33(16-25-17-34-27-10-6-5-9-26(25)27,37-32(40)44-30-23-12-20-11-21(14-23)15-24(30)13-20)31(39)35-18-28(22-7-3-2-4-8-22)36-29(38)19-45(41,42)43/h2-10,17,20-21,23-24,28,30,34H,11-16,18-19H2,1H3,(H,35,39)(H,36,38)(H,37,40)(H2,41,42,43)/t20?,21?,23?,24?,28-,30?,33?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+3n/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