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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 = 'BDBM50057389'   
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)		BDBM50057389
PNG
(Analog of Dynorphin A | CHEMBL408024)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H113N19O17/c1-7-41(6)58(67(103)79-36-46(74)68(104)89-30-16-22-54(89)66(102)83-47(19-11-13-27-71)60(96)85-50(31-39(2)3)62(98)84-49(69(105)106)20-12-14-28-72)88-61(97)48(21-15-29-77-70(75)76)82-65(101)53(35-57(93)94)87-63(99)51(32-40(4)5)86-64(100)52(34-42-17-9-8-10-18-42)81-56(92)38-78-55(91)37-80-59(95)45(73)33-43-23-25-44(90)26-24-43/h8-10,17-18,23-26,39-41,45-54,58,90H,7,11-16,19-22,27-38,71-74H2,1-6H3,(H,78,91)(H,79,103)(H,80,95)(H,81,92)(H,82,101)(H,83,102)(H,84,98)(H,85,96)(H,86,100)(H,87,99)(H,88,97)(H,93,94)(H,105,106)(H4,75,76,77)/t41-,45-,46+,47-,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.5n/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