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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 = 'BDBM50411342'   
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))
BDBM50411342
PNG
(CHEMBL227333)
Show SMILES OC(=O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:15|
Show InChI InChI=1S/C31H36N4O5S/c36-27(21-9-4-5-10-21)18-34-26-16-7-6-15-25(26)30(22-11-2-1-3-12-22)33-35(31(34)40)19-28(37)32-23-13-8-14-24(17-23)41-20-29(38)39/h6-8,13-17,21-22H,1-5,9-12,18-20H2,(H,32,37)(H,38,39)
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PC sid
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Similars

Article
PubMed
0.330n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Dog)
BDBM50411342
PNG
(CHEMBL227333)
Show SMILES OC(=O)CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 |t:15|
Show InChI InChI=1S/C31H36N4O5S/c36-27(21-9-4-5-10-21)18-34-26-16-7-6-15-25(26)30(22-11-2-1-3-12-22)33-35(31(34)40)19-28(37)32-23-13-8-14-24(17-23)41-20-29(38)39/h6-8,13-17,21-22H,1-5,9-12,18-20H2,(H,32,37)(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa


J Med Chem 50: 3101-12 (2007)

Checked by Author
Article DOI: 10.1021/jm070139l
BindingDB Entry DOI: 10.7270/Q2QJ7JHN
More data for this
Ligand-Target Pair