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BDBM50384059 CHEMBL2032452

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC(=O)NCCOCCOCC(=O)NCC(=O)NCc2cn(nn2)-c2ccc(cc2)C(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)CC1

InChI Key: InChIKey=BCNYFDITTKMHTJ-ABDHSPIISA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50384059   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50384059
PNG
(CHEMBL2032452)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC(=O)NCCOCCOCC(=O)NCC(=O)NCc2cn(nn2)-c2ccc(cc2)C(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)CC1 |r|
Show InChI InChI=1S/C67H88N14O12/c1-45(2)37-56(76-66(90)57(39-48-13-7-4-8-14-48)75-64(88)54(69)38-47-11-5-3-6-12-47)65(89)74-55(15-9-10-29-68)67(91)79-31-26-49(27-32-79)40-58(82)70-30-34-92-35-36-93-44-60(84)72-42-59(83)71-41-52-43-81(78-77-52)53-23-19-50(20-24-53)63(87)73-51-21-16-46(17-22-51)18-25-61(85)80-33-28-62(80)86/h3-8,11-14,16-17,19-24,43,45,49,54-57H,9-10,15,18,25-42,44,68-69H2,1-2H3,(H,70,82)(H,71,83)(H,72,84)(H,73,87)(H,74,89)(H,75,88)(H,76,90)/t54-,55-,56-,57-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in guinea pig illeum assessed as electric field-stimulated response


Bioorg Med Chem Lett 22: 4173-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.040
BindingDB Entry DOI: 10.7270/Q2251K62
More data for this
Ligand-Target Pair