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BDBM50002879 CHEMBL227147

SMILES: CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCCC1

InChI Key: InChIKey=KUJCTAHPIZEHFR-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 = 50002879   
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))
BDBM50002879
PNG
(CHEMBL227147)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCCC1
Show InChI InChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-16-9-8-15-23(24)27(20-11-6-4-5-7-12-20)32-34(29(33)39)19-26(36)31-22-14-10-13-21(17-22)28(37)38/h8-10,13-17,20H,4-7,11-12,18-19H2,1-3H3,(H,31,36)(H,37,38)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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 [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))
BDBM50002879
PNG
(CHEMBL227147)
Show SMILES CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCCC1
Show InChI InChI=1S/C30H36N4O5/c1-30(2,3)25(35)18-33-24-16-9-8-15-23(24)27(20-11-6-4-5-7-12-20)32-34(29(33)39)19-26(36)31-22-14-10-13-21(17-22)28(37)38/h8-10,13-17,20H,4-7,11-12,18-19H2,1-3H3,(H,31,36)(H,37,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.75E+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 PC3 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