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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 = 'BDBM50057387'   
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


(GUINEA PIG)		BDBM50057387
PNG
(Analog of Dynorphin A | CHEMBL412364)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H113N25O16/c1-39(2)32-49(61(104)92-48(67(110)111)17-7-9-27-72)93-60(103)45(16-6-8-26-71)90-65(108)53-21-13-31-95(53)66(109)47(20-12-30-82-70(78)79)91-64(107)52-36-84-58(101)44(18-10-28-80-68(74)75)88-59(102)46(19-11-29-81-69(76)77)89-63(106)51(35-54(97)87-52)94-62(105)50(34-40-14-4-3-5-15-40)86-56(99)38-83-55(98)37-85-57(100)43(73)33-41-22-24-42(96)25-23-41/h3-5,14-15,22-25,39,43-53,96H,6-13,16-21,26-38,71-73H2,1-2H3,(H,83,98)(H,84,101)(H,85,100)(H,86,99)(H,87,97)(H,88,102)(H,89,106)(H,90,108)(H,91,107)(H,92,104)(H,93,103)(H,94,105)(H,110,111)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t43-,44-,45-,46+,47-,48-,49-,50-,51+,52+,53-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 75n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]-DAMGO using cloned receptors transiently expressed on CHO cell...

J Med Chem 40: 1211-8 (1997)


Article DOI: 10.1021/jm960753p
BindingDB Entry DOI: 10.7270/Q2BG2N3H
More data for this
Ligand-Target Pair