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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50128076'   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50128076
PNG
(CHEMBL2369407 | Tyr-Gly-Pro-Phe-Leu-Arg-Arg-Arg-NH...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C49H78N18O9/c1-28(2)24-36(44(74)64-35(14-8-22-60-49(56)57)43(73)63-34(13-7-21-59-48(54)55)42(72)62-33(40(51)70)12-6-20-58-47(52)53)65-45(75)37(26-29-10-4-3-5-11-29)66-46(76)38-15-9-23-67(38)39(69)27-61-41(71)32(50)25-30-16-18-31(68)19-17-30/h3-5,10-11,16-19,28,32-38,68H,6-9,12-15,20-27,50H2,1-2H3,(H2,51,70)(H,61,71)(H,62,72)(H,63,73)(H,64,74)(H,65,75)(H,66,76)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t32-,33-,34-,35-,36-,37-,38?/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.55E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair