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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 = 'BDBM50422152'   
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))
BDBM50422152
PNG
(CHEMBL432015)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(NC(=O)Nc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C34H33N5O4/c1-24(2)38(26-17-9-5-10-18-26)30(40)23-37-28-21-13-14-22-29(28)39(27-19-11-6-12-20-27)32(42)34(3,31(37)41)36-33(43)35-25-15-7-4-8-16-25/h4-22,24H,23H2,1-3H3,(H2,35,36,43)
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PC sid
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Article
PubMed
n/an/a 282n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]Bolton-Hunter CCK8 from human Cholecystokinin B receptor expressed in CHO-K1 cells by competitive radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00829
BindingDB Entry DOI: 10.7270/Q22J6GHJ
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50422152
PNG
(CHEMBL432015)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(C)(NC(=O)Nc2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C34H33N5O4/c1-24(2)38(26-17-9-5-10-18-26)30(40)23-37-28-21-13-14-22-29(28)39(27-19-11-6-12-20-27)32(42)34(3,31(37)41)36-33(43)35-25-15-7-4-8-16-25/h4-22,24H,23H2,1-3H3,(H2,35,36,43)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 282n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type B receptor in CHO-K1 cells using [125I]-Bolton-Hunter CCK-8 as radioligand


J Med Chem 39: 3030-4 (1996)


Article DOI: 10.1021/jm960205b
BindingDB Entry DOI: 10.7270/Q26H4JPR
More data for this
Ligand-Target Pair