BindingDB logo
myBDB logout

BDBM50154438 (S)-2-((R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2-c]pyrimidin-5-ylamino)-3-(1H-indol-3-yl)-propionic acid tert-butyl ester::CHEMBL363106

SMILES: CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O

InChI Key: InChIKey=PJYUGMQDFKZFAB-DUGVZXTISA-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 = 50154438   
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


(RAT)
BDBM50154438
PNG
((S)-2-((R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)38-28(36)25(16-21-18-31-23-13-8-7-12-22(21)23)32-24-14-9-15-33-26(24)17-27(35)34(29(33)37)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,31-32H,9,14-17,19H2,1-3H3/t24-,25+,26?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22.7n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas homogenates


J Med Chem 47: 5318-29 (2004)


Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50154438
PNG
((S)-2-((R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)38-28(36)25(16-21-18-31-23-13-8-7-12-22(21)23)32-24-14-9-15-33-26(24)17-27(35)34(29(33)37)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,31-32H,9,14-17,19H2,1-3H3/t24-,25+,26?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.15E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex homogenates


J Med Chem 47: 5318-29 (2004)


Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G
More data for this
Ligand-Target Pair