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BDBM50384057 CHEMBL2032450

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(CCC(=O)NCCOCCOCCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)C1=O

InChI Key: InChIKey=FTPNXXTYSVBPSI-LBYLHHMZSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50384057   
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))
BDBM50384057
PNG
(CHEMBL2032450)
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(CCC(=O)NCCOCCOCCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)C1=O |r|
Show InChI InChI=1S/C60H83N11O13S/c1-40(2)35-47(69-59(81)48(37-43-13-7-4-8-14-43)68-56(78)45(62)36-42-11-5-3-6-12-42)58(80)67-46(15-9-10-25-61)57(79)65-39-52(74)64-27-34-85-49-38-55(77)71(60(49)82)28-22-50(72)63-26-31-84-33-32-83-30-24-51(73)66-44-19-16-41(17-20-44)18-21-53(75)70-29-23-54(70)76/h3-8,11-14,16-17,19-20,40,45-49H,9-10,15,18,21-39,61-62H2,1-2H3,(H,63,72)(H,64,74)(H,65,79)(H,66,73)(H,67,80)(H,68,78)(H,69,81)/t45-,46-,47-,48-,49?/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.48E+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