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BDBM50008184 4-(3-Chloro-benzoylamino)-4-(3,3-dimethyl-butylcarbamoyl)-butyric acid::CHEMBL124822

SMILES: CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1

InChI Key: InChIKey=VUYSXYHJEIPUTG-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50008184   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50008184
PNG
(4-(3-Chloro-benzoylamino)-4-(3,3-dimethyl-butylcar...)
Show SMILES CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H25ClN2O4/c1-18(2,3)9-10-20-17(25)14(7-8-15(22)23)21-16(24)12-5-4-6-13(19)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
PDB

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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to Cholecystokinin type B receptor in rabbit gastric gland


J Med Chem 35: 28-38 (1992)


BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50008184
PNG
(4-(3-Chloro-benzoylamino)-4-(3,3-dimethyl-butylcar...)
Show SMILES CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H25ClN2O4/c1-18(2,3)9-10-20-17(25)14(7-8-15(22)23)21-16(24)12-5-4-6-13(19)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
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PubMed
n/an/a 9.05E+4n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Concentration required to inhibit by 50% specific binding of [125I](BH)-CCK-8 to cholecystokinin type A receptor in rat pancreatic acini


J Med Chem 35: 28-38 (1992)


BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50008184
PNG
(4-(3-Chloro-benzoylamino)-4-(3,3-dimethyl-butylcar...)
Show SMILES CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H25ClN2O4/c1-18(2,3)9-10-20-17(25)14(7-8-15(22)23)21-16(24)12-5-4-6-13(19)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B receptor in rat brain cortex


J Med Chem 35: 28-38 (1992)


BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair