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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 = 'BDBM50453782'   
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)		BDBM50453782
PNG
(CHEMBL2370497)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C63H107N23O11/c1-3-38(2)52(59(96)84-47(21-13-31-76-63(72)73)60(97)86-32-14-22-49(86)58(95)82-44(53(67)90)18-8-10-28-65)85-56(93)46(20-12-30-75-62(70)71)83-55(92)45(19-11-29-74-61(68)69)77-35-41(17-7-9-27-64)80-57(94)48(34-39-15-5-4-6-16-39)81-51(89)37-78-50(88)36-79-54(91)43(66)33-40-23-25-42(87)26-24-40/h4-6,15-16,23-26,38,41,43-49,52,77,87H,3,7-14,17-22,27-37,64-66H2,1-2H3,(H2,67,90)(H,78,88)(H,79,91)(H,80,94)(H,81,89)(H,82,95)(H,83,92)(H,84,96)(H,85,93)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t38-,41-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 9n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 from Guinea pig brain homogenate using [3H]-DAMGO

J Med Chem 38: 3462-8 (1995)


BindingDB Entry DOI: 10.7270/Q2QZ291Q
More data for this
Ligand-Target Pair