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BDBM50472876 CHEMBL332568

SMILES: CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1

InChI Key: InChIKey=DXBZKZASSVRYNZ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50472876   
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))
BDBM50472876
PNG
(CHEMBL332568)
Show SMILES CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1
Show InChI InChI=1S/C30H34FN5O3/c1-30(2,3)17-18-35-24-15-8-9-16-25(24)36(23-14-7-6-13-22(23)31)28(38)26(27(35)37)33-29(39)32-20-11-10-12-21(19-20)34(4)5/h6-16,19,26H,17-18H2,1-5H3,(H2,32,33,39)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.603n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50472876
PNG
(CHEMBL332568)
Show SMILES CN(C)c1cccc(NC(=O)NC2C(=O)N(CCC(C)(C)C)c3ccccc3N(c3ccccc3F)C2=O)c1
Show InChI InChI=1S/C30H34FN5O3/c1-30(2,3)17-18-35-24-15-8-9-16-25(24)36(23-14-7-6-13-22(23)31)28(38)26(27(35)37)33-29(39)32-20-11-10-12-21(19-20)34(4)5/h6-16,19,26H,17-18H2,1-5H3,(H2,32,33,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



Glaxo Wellcome Medicines Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 43: 3596-613 (2000)


Article DOI: 10.1021/jm990967h
BindingDB Entry DOI: 10.7270/Q26H4M5V
More data for this
Ligand-Target Pair