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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 = 'BDBM50057386'   
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)		BDBM50057386
PNG
(Analog of Dynorphin A | CHEMBL263366)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)N[C@@H](CCNC1=O)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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C71H113N19O16/c1-7-42(6)59-68(103)77-31-27-49(69(104)90-32-16-22-55(90)67(102)84-47(19-11-13-28-72)61(96)86-51(33-40(2)3)63(98)85-50(70(105)106)20-12-14-29-73)81-56(92)37-54(66(101)83-48(62(97)89-59)21-15-30-78-71(75)76)88-64(99)52(34-41(4)5)87-65(100)53(36-43-17-9-8-10-18-43)82-58(94)39-79-57(93)38-80-60(95)46(74)35-44-23-25-45(91)26-24-44/h8-10,17-18,23-26,40-42,46-55,59,91H,7,11-16,19-22,27-39,72-74H2,1-6H3,(H,77,103)(H,79,93)(H,80,95)(H,81,92)(H,82,94)(H,83,101)(H,84,102)(H,85,98)(H,86,96)(H,87,100)(H,88,99)(H,89,97)(H,105,106)(H4,75,76,78)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,59+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.80n/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