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BDBM50384055 CHEMBL2032448

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)NCC(=O)NCCSc1cc(O)n(c1O)-c1ccc(CCC(=O)N2CCC2=O)cc1

InChI Key: InChIKey=XFBDGDTWYSMOID-JUFVCXMFSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50384055   
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


(Homo sapiens (Human))
BDBM50384055
PNG
(CHEMBL2032448)
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)NCC(=O)NCCSc1cc(O)n(c1O)-c1ccc(CCC(=O)N2CCC2=O)cc1 |r|
Show InChI InChI=1S/C50H65N9O9S/c1-32(2)27-39(57-49(67)40(29-35-13-7-4-8-14-35)56-46(64)37(52)28-34-11-5-3-6-12-34)48(66)55-38(15-9-10-23-51)47(65)54-31-42(60)53-24-26-69-41-30-45(63)59(50(41)68)36-19-16-33(17-20-36)18-21-43(61)58-25-22-44(58)62/h3-8,11-14,16-17,19-20,30,32,37-40,63,68H,9-10,15,18,21-29,31,51-52H2,1-2H3,(H,53,60)(H,54,65)(H,55,66)(H,56,64)(H,57,67)/t37-,38-,39-,40-/m1/s1
PDB

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PC cid
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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