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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 = 'BDBM50042767'   
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


(Rattus norvegicus (rat))		BDBM50042767
PNG
(CHEMBL334299 | H-Tyr-D-Ala-Tyr-Asp-Val-Val-Gly-NH2)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O11/c1-18(2)30(36(55)40-17-28(39)48)45-37(56)31(19(3)4)44-35(54)27(16-29(49)50)43-34(53)26(15-22-8-12-24(47)13-9-22)42-32(51)20(5)41-33(52)25(38)14-21-6-10-23(46)11-7-21/h6-13,18-20,25-27,30-31,46-47H,14-17,38H2,1-5H3,(H2,39,48)(H,40,55)(H,41,52)(H,42,51)(H,43,53)(H,44,54)(H,45,56)(H,49,50)/t20-,25+,26+,27+,30+,31+/m1/s1
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Similars
PubMed
 1.18E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity was determined on mu [3H]-DAGO site in rat brain synaptosomes by radioreceptor assay

J Med Chem 36: 3748-56 (1994)


BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair