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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 = 'BDBM50079414'   
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))		BDBM50079414
PNG
(Ac-Tyr-Lys-Trp-Trp-NH2 | CHEMBL102690)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C39H46N8O6/c1-23(48)44-34(18-24-13-15-27(49)16-14-24)38(52)45-32(12-6-7-17-40)37(51)47-35(20-26-22-43-31-11-5-3-9-29(26)31)39(53)46-33(36(41)50)19-25-21-42-30-10-4-2-8-28(25)30/h2-5,8-11,13-16,21-22,32-35,42-43,49H,6-7,12,17-20,40H2,1H3,(H2,41,50)(H,44,48)(H,45,52)(H,46,53)(H,47,51)/t32-,33-,34-,35-/m0/s1
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Similars
Article
PubMed
 3.59E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Opioid receptor mu 1 by using [3H]DAMGO as a radioligand

J Med Chem 42: 3011-3 (1999)


Article DOI: 10.1021/jm9901071
BindingDB Entry DOI: 10.7270/Q2N58KKX
More data for this
Ligand-Target Pair