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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 = 'BDBM50126656'   
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))		BDBM50126656
PNG
(CHEMBL263595 | Compound [Gly2]Venorphin)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H108N24O13/c1-40(2)33-55(95-68(108)58(36-45-38-86-50-18-8-6-16-48(45)50)96-67(107)57(35-44-37-85-49-17-7-5-15-47(44)49)90-60(100)39-87-63(103)56(89-42(4)98)34-43-24-26-46(99)27-25-43)66(106)93-53(21-12-30-83-72(78)79)65(105)92-52(20-11-29-82-71(76)77)64(104)88-41(3)62(102)94-54(22-13-31-84-73(80)81)70(110)97-32-14-23-59(97)69(109)91-51(61(75)101)19-9-10-28-74/h5-8,15-18,24-27,37-38,40-41,51-59,85-86,99H,9-14,19-23,28-36,39,74H2,1-4H3,(H2,75,101)(H,87,103)(H,88,104)(H,89,98)(H,90,100)(H,91,109)(H,92,105)(H,93,106)(H,94,102)(H,95,108)(H,96,107)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t41-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
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Similars
Article
PubMed
 339n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 using [3H]-DAMGO as radioligand in Chinese hamster ovary cells expressing cloned opioid...

J Med Chem 46: 1279-82 (2003)


Article DOI: 10.1021/jm0256023
BindingDB Entry DOI: 10.7270/Q22F7MTK
More data for this
Ligand-Target Pair