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BDBM50008163 4-(2-Adamantan-1-yl-ethylcarbamoyl)-4-(3,5-dichloro-benzoylamino)-butyric acid::CHEMBL124396

SMILES: OC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=OWFHOMPMUMRMKV-UHFFFAOYNA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50008163   
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


(Homo sapiens (Human))
BDBM50008163
PNG
(4-(2-Adamantan-1-yl-ethylcarbamoyl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H30Cl2N2O4/c25-18-8-17(9-19(26)10-18)22(31)28-20(1-2-21(29)30)23(32)27-4-3-24-11-14-5-15(12-24)7-16(6-14)13-24/h8-10,14-16,20H,1-7,11-13H2,(H,27,32)(H,28,31)(H,29,30)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10E+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)


Article DOI: 10.1021/jm00079a003
BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50008163
PNG
(4-(2-Adamantan-1-yl-ethylcarbamoyl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H30Cl2N2O4/c25-18-8-17(9-19(26)10-18)22(31)28-20(1-2-21(29)30)23(32)27-4-3-24-11-14-5-15(12-24)7-16(6-14)13-24/h8-10,14-16,20H,1-7,11-13H2,(H,27,32)(H,28,31)(H,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/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)


Article DOI: 10.1021/jm00079a003
BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50008163
PNG
(4-(2-Adamantan-1-yl-ethylcarbamoyl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1/C24H30Cl2N2O4/c25-18-8-17(9-19(26)10-18)22(31)28-20(1-2-21(29)30)23(32)27-4-3-24-11-14-5-15(12-24)7-16(6-14)13-24/h8-10,14-16,20H,1-7,11-13H2,(H,27,32)(H,28,31)(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.28E+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)


Article DOI: 10.1021/jm00079a003
BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair