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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50048797'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50048797
PNG
(2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C32H36Cl2N4O5/c33-22-15-20(16-23(34)18-22)29(40)37-26(30(41)38-13-11-32(12-14-38)9-3-4-10-32)7-8-28(39)36-27(31(42)43)17-21-19-35-25-6-2-1-5-24(21)25/h1-2,5-6,15-16,18-19,26-27,35H,3-4,7-14,17H2,(H,36,39)(H,37,40)(H,42,43)
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PC sid
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Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50048797
PNG
(2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1
Show InChI InChI=1S/C32H36Cl2N4O5/c33-22-15-20(16-23(34)18-22)29(40)37-26(30(41)38-13-11-32(12-14-38)9-3-4-10-32)7-8-28(39)36-27(31(42)43)17-21-19-35-25-6-2-1-5-24(21)25/h1-2,5-6,15-16,18-19,26-27,35H,3-4,7-14,17H2,(H,36,39)(H,37,40)(H,42,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair