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BDBM50020575 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-4-phenethylcarbamoyl-butyric acid::CHEMBL3143387::CHEMBL345761

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)NCCc1ccccc1

InChI Key: InChIKey=GXFJMFOVYVIXAB-IGSCLKKUNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020575   
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))
BDBM50020575
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)NCCc1ccccc1
Show InChI InChI=1/C35H47N5O7/c1-22(2)17-28(32(44)38-25(20-31(42)43)19-30(41)36-16-15-23-11-7-6-8-12-23)39-33(45)29(40-34(46)47-35(3,4)5)18-24-21-37-27-14-10-9-13-26(24)27/h6-14,21-22,25,28-29,37H,15-20H2,1-5H3,(H,36,41)(H,38,44)(H,39,45)(H,40,46)(H,42,43)/t25-,28-,29-/s2
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PC sid
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Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Centre de pharmacologie-endocrinologie (Montpellier, France)

Curated by ChEMBL


Assay Description
Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit


J Med Chem 32: 522-8 (1989)


Article DOI: 10.1021/jm00123a003
BindingDB Entry DOI: 10.7270/Q2MW2G4H
More data for this
Ligand-Target Pair