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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 = 'BDBM156498'   
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))		BDBM156498
PNG
(US10118915, Compound 285 | US9682966, 285)
Show SMILES CCc1ccc2nc(N3CCC(CC3)NC3CCOCC3)c(cc2c1)-c1nc(C)no1
Show InChI InChI=1S/C24H31N5O2/c1-3-17-4-5-22-18(14-17)15-21(24-25-16(2)28-31-24)23(27-22)29-10-6-19(7-11-29)26-20-8-12-30-13-9-20/h4-5,14-15,19-20,26H,3,6-13H2,1-2H3
PDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 183n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migra...

J Med Chem 62: 1761-1780 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01679
BindingDB Entry DOI: 10.7270/Q2CV4N6Q
More data for this
Ligand-Target Pair