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BDBM50411969 CHEMBL258782

SMILES: CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CCCC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O

InChI Key: InChIKey=RLKUXRWOAPPZQB-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411969   
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
CCKBR


(RAT)
BDBM50411969
PNG
(CHEMBL258782)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CCCC(=O)Nc2cccc(c2)-c2nc(=O)o[nH]2)C1=O
Show InChI InChI=1S/C32H38N6O6/c1-32(2,3)26(39)20-37-24-15-7-8-16-25(24)38(23-13-5-4-6-14-23)31(43)36(30(37)42)18-10-17-27(40)33-22-12-9-11-21(19-22)28-34-29(41)44-35-28/h7-9,11-12,15-16,19,23H,4-6,10,13-14,17-18,20H2,1-3H3,(H,33,40)(H,34,35,41)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 87.1n/an/an/an/an/a



James Black Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at CCK2 receptor in immature rat stomach assessed as pentagastrin-induced acid secretion


Bioorg Med Chem 16: 2974-83 (2008)


Article DOI: 10.1016/j.bmc.2007.12.047
BindingDB Entry DOI: 10.7270/Q2FT8N8D
More data for this
Ligand-Target Pair