BindingDB logo
myBDB logout

BDBM50048744 (S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxo-pentanoic acid::CHEMBL286510

SMILES: OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=IPMHDUBMOPQXIZ-XLTVJXRZSA-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 = 50048744   
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))
BDBM50048744
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C35H42Cl2N4O6/c36-26-19-25(20-27(37)21-26)32(45)39-29(33(46)40-17-14-35(15-18-40)12-3-4-13-35)7-9-30(42)38-28(8-10-31(43)44)34(47)41-16-11-23-5-1-2-6-24(23)22-41/h1-2,5-6,19-21,28-29H,3-4,7-18,22H2,(H,38,42)(H,39,45)(H,43,44)/t28-,29?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50048744
PNG
((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...)
Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C35H42Cl2N4O6/c36-26-19-25(20-27(37)21-26)32(45)39-29(33(46)40-17-14-35(15-18-40)12-3-4-13-35)7-9-30(42)38-28(8-10-31(43)44)34(47)41-16-11-23-5-1-2-6-24(23)22-41/h1-2,5-6,19-21,28-29H,3-4,7-18,22H2,(H,38,42)(H,39,45)(H,43,44)/t28-,29?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 39: 135-42 (1996)


Article DOI: 10.1021/jm950372w
BindingDB Entry DOI: 10.7270/Q2BZ66P3
More data for this
Ligand-Target Pair