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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 = 'BDBM50095738'   
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))		BDBM50095738
PNG
(6-Amino-2-{2-[2-({2-[2-amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(=O)C(N)CCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C45H52N6O8/c1-28(52)35(46)17-10-18-37(45(58)59)48-41(54)38(24-29-11-4-2-5-12-29)49-42(55)39(25-30-13-6-3-7-14-30)50-43(56)40-26-32-15-8-9-16-33(32)27-51(40)44(57)36(47)23-31-19-21-34(53)22-20-31/h2-9,11-16,19-22,35-40,53H,10,17-18,23-27,46-47H2,1H3,(H,48,54)(H,49,55)(H,50,56)(H,58,59)
PDB

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PC cid
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UniChem

Similars
PubMed
>4.50E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Affinity towards human Opioid receptor mu 1 on CHO cell membranes using [3H]DAMGO displacement.

J Med Chem 43: 5050-4 (2001)


BindingDB Entry DOI: 10.7270/Q20P0Z8P
More data for this
Ligand-Target Pair