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BDBM50384054 CHEMBL2032447

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O

InChI Key: InChIKey=JLDJARVXWQALBQ-VEYUFSJPSA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50384054   
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))
BDBM50384054
PNG
(CHEMBL2032447)
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(N)=O |r|
Show InChI InChI=1S/C30H44N6O4/c1-20(2)17-25(29(39)34-24(27(33)37)15-9-10-16-31)36-30(40)26(19-22-13-7-4-8-14-22)35-28(38)23(32)18-21-11-5-3-6-12-21/h3-8,11-14,20,23-26H,9-10,15-19,31-32H2,1-2H3,(H2,33,37)(H,34,39)(H,35,38)(H,36,40)/t23-,24-,25-,26-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.220n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50384054
PNG
(CHEMBL2032447)
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(N)=O |r|
Show InChI InChI=1S/C30H44N6O4/c1-20(2)17-25(29(39)34-24(27(33)37)15-9-10-16-31)36-30(40)26(19-22-13-7-4-8-14-22)35-28(38)23(32)18-21-11-5-3-6-12-21/h3-8,11-14,20,23-26H,9-10,15-19,31-32H2,1-2H3,(H2,33,37)(H,34,39)(H,35,38)(H,36,40)/t23-,24-,25-,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant kappa opioid receptor expressed in human U2OS cells coexpressing beta arrestin/EA complex assessed as beta arrestin r...


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