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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50002895'   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002895
PNG
(CHEMBL226726)
Show SMILES CN(CC(O)=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:16|
Show InChI InChI=1S/C31H39N5O5/c1-31(2,3)26(37)18-35-25-16-9-8-15-24(25)29(21-11-6-5-7-12-21)33-36(30(35)41)19-27(38)32-22-13-10-14-23(17-22)34(4)20-28(39)40/h8-10,13-17,21H,5-7,11-12,18-20H2,1-4H3,(H,32,38)(H,39,40)
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PC cid
PC sid
UniChem

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Article
PubMed
1.10n/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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50002895
PNG
(CHEMBL226726)
Show SMILES CN(CC(O)=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:16|
Show InChI InChI=1S/C31H39N5O5/c1-31(2,3)26(37)18-35-25-16-9-8-15-24(25)29(21-11-6-5-7-12-21)33-36(30(35)41)19-27(38)32-22-13-10-14-23(17-22)34(4)20-28(39)40/h8-10,13-17,21H,5-7,11-12,18-20H2,1-4H3,(H,32,38)(H,39,40)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.46E+3n/an/an/an/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 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