BindingDB logo
myBDB logout

BDBM50008643 (S)-Quinoline-3-carboxylic acid [1-dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL115456

SMILES: CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1

InChI Key: InChIKey=BHLFQSQXXBNXJD-LJAQVGFWSA-N

Data: 2 IC50

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 = 50008643   
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))
BDBM50008643
PNG
((S)-Quinoline-3-carboxylic acid [1-dipentylcarbamo...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H38N4O2/c1-3-5-11-17-35(18-12-6-4-2)31(37)29(20-24-21-33-28-16-10-8-14-26(24)28)34-30(36)25-19-23-13-7-9-15-27(23)32-22-25/h7-10,13-16,19,21-22,29,33H,3-6,11-12,17-18,20H2,1-2H3,(H,34,36)/t29-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type B receptor in guinea pig cerebral cortical.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50008643
PNG
((S)-Quinoline-3-carboxylic acid [1-dipentylcarbamo...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H38N4O2/c1-3-5-11-17-35(18-12-6-4-2)31(37)29(20-24-21-33-28-16-10-8-14-26(24)28)34-30(36)25-19-23-13-7-9-15-27(23)32-22-25/h7-10,13-16,19,21-22,29,33H,3-6,11-12,17-18,20H2,1-2H3,(H,34,36)/t29-/m0/s1
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreatic membranes.


J Med Chem 34: 3350-9 (1992)


Article DOI: 10.1021/jm00116a002
BindingDB Entry DOI: 10.7270/Q2M907M8
More data for this
Ligand-Target Pair