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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu/kappa/delta' and Ligand = 'BDBM50121315'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50121315
PNG
(Ac-Arg-D-Cha-I9aa-D-Arg-D-pClPhe-NH2 | CHEMBL35621...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(10-6-18-47-39(43)44)33(57)52-29(21-23-8-3-2-4-9-23)35(59)53-37-38(61)54-30(12-5-13-31(54)62-37)36(60)50-27(11-7-19-48-40(45)46)34(58)51-28(32(42)56)20-24-14-16-25(41)17-15-24/h14-17,23,26-31,37H,2-13,18-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,58)(H,52,57)(H,53,59)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29-,30-,31-,37?/m0/s1
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PC cid
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PubMed
1.09E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor kappa 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair