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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 = 'BDBM50108966'   
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))		BDBM50108966
PNG
(CHEMBL3597086)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C88H144N20O27/c1-43(2)33-57(72(93)119)100-83(130)63(42-134-86-71(118)70(117)69(116)64(41-109)135-86)105-77(124)55(24-18-20-32-90)99-80(127)59(35-45(5)6)101-73(120)47(9)95-76(123)54(23-17-19-31-89)98-78(125)56(29-30-67(114)115)106-87(133)88(12,13)108-84(131)60(36-46(7)8)104-82(129)62(39-65(92)112)102-74(121)48(10)96-79(126)58(34-44(3)4)103-81(128)61(38-50-21-15-14-16-22-50)97-66(113)40-94-85(132)68(49(11)110)107-75(122)53(91)37-51-25-27-52(111)28-26-51/h14-16,21-22,25-28,43-49,53-64,68-71,86,109-111,116-118H,17-20,23-24,29-42,89-91H2,1-13H3,(H2,92,112)(H2,93,119)(H,94,132)(H,95,123)(H,96,126)(H,97,113)(H,98,125)(H,99,127)(H,100,130)(H,101,120)(H,102,121)(H,103,128)(H,104,129)(H,105,124)(H,106,133)(H,107,122)(H,108,131)(H,114,115)/t47-,48-,49+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,68-,69+,70-,71+,86+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 39n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis

J Med Chem 58: 5728-41 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00014
BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair