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BDBM50384056 CHEMBL2032449

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

InChI Key: InChIKey=RFXRMZTVIUQSRH-IDUYXCQRNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50384056   
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))
BDBM50384056
PNG
(CHEMBL2032449)
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)NCC(=O)NCC(=O)NCCSc1cc(O)n(c1O)-c1ccc(CCC(=O)N2CCC2=O)cc1
Show InChI InChI=1/C54H71N11O11S/c1-34(2)27-41(63-53(75)42(29-37-13-7-4-8-14-37)62-50(72)39(56)28-36-11-5-3-6-12-36)52(74)61-40(15-9-10-23-55)51(73)60-33-46(68)59-32-45(67)58-31-44(66)57-24-26-77-43-30-49(71)65(54(43)76)38-19-16-35(17-20-38)18-21-47(69)64-25-22-48(64)70/h3-8,11-14,16-17,19-20,30,34,39-42,71,76H,9-10,15,18,21-29,31-33,55-56H2,1-2H3,(H,57,66)(H,58,67)(H,59,68)(H,60,73)(H,61,74)(H,62,72)(H,63,75)/t39-,40-,41-,42-/s2
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Article
PubMed
n/an/an/an/a 5n/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