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BDBM50061285 (2R,4S)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-phenyl-pyrrolidine-2-carboxylic acid::CHEMBL338382

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)c1ccccc1

InChI Key: InChIKey=MSDYOIFQIQQZTB-CGRXUFDKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061285   
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))
BDBM50061285
PNG
((2R,4S)-1-[(R)-2-(2-Aza-tricyclo[3.3.1.1*3,7*]dec-...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)ON1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N1C[C@@H](C[C@@H]1C(O)=O)c1ccccc1
Show InChI InChI=1S/C33H38N4O5/c1-33(17-24-18-34-28-10-6-5-9-27(24)28,35-32(41)42-37-25-12-20-11-21(14-25)15-26(37)13-20)31(40)36-19-23(16-29(36)30(38)39)22-7-3-2-4-8-22/h2-10,18,20-21,23,25-26,29,34H,11-17,19H2,1H3,(H,35,41)(H,38,39)/t20-,21+,23-,25-,26+,29-,33-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 40: 3947-56 (1998)


Article DOI: 10.1021/jm970439a
BindingDB Entry DOI: 10.7270/Q27H1K8Z
More data for this
Ligand-Target Pair