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BDBM50014888 4-Benzoylamino-4-dipropylcarbamoyl-butyric acid::CHEMBL316561::Proglumide

SMILES: CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1

InChI Key: InChIKey=DGMKFQYCZXERLX-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50014888   
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


(RAT)
BDBM50014888
PNG
(4-Benzoylamino-4-dipropylcarbamoyl-butyric acid | ...)
Show SMILES CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 4918-22 (1986)


Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50014888
PNG
(4-Benzoylamino-4-dipropylcarbamoyl-butyric acid | ...)
Show SMILES CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
PDB

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PubMed
n/an/a 9.00E+5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]gastrin to Cholecystokinin type B receptor from guinea pig gastric glands


J Med Chem 33: 591-5 (1990)


BindingDB Entry DOI: 10.7270/Q29K4BTP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)
BDBM50014888
PNG
(4-Benzoylamino-4-dipropylcarbamoyl-butyric acid | ...)
Show SMILES CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
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n/an/a 2.50E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro


J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50014888
PNG
(4-Benzoylamino-4-dipropylcarbamoyl-butyric acid | ...)
Show SMILES CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
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n/an/a 2.50E+5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]- CCK-33 to rat pancreas


J Med Chem 33: 591-5 (1990)


BindingDB Entry DOI: 10.7270/Q29K4BTP
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50014888
PNG
(4-Benzoylamino-4-dipropylcarbamoyl-butyric acid | ...)
Show SMILES CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
PDB
MMDB

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n/an/a 8.00E+5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]- CCK-33 to guinea pig cortex


J Med Chem 33: 591-5 (1990)


BindingDB Entry DOI: 10.7270/Q29K4BTP
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50014888
PNG
(4-Benzoylamino-4-dipropylcarbamoyl-butyric acid | ...)
Show SMILES CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
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n/an/a 2.50E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity for binding of [125I]-(Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.


J Med Chem 30: 758-63 (1987)


BindingDB Entry DOI: 10.7270/Q2CV4GRT
More data for this
Ligand-Target Pair