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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 = 'BDBM50188203'   
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)		BDBM50188203
PNG
(4-[(2S)-2-(dimethylamino)-3-{[(2S)-1-(4-hydroxyphe...)
Show SMILES CNC[C@@H]1CCCN1C[C@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C
Show InChI InChI=1S/C37H55N5O2/c1-38-25-32-12-9-21-42(32)28-35(23-29-10-7-6-8-11-29)41(5)27-34(24-31-15-19-37(44)20-16-31)40(4)26-33(39(2)3)22-30-13-17-36(43)18-14-30/h6-8,10-11,13-20,32-35,38,43-44H,9,12,21-28H2,1-5H3/t32-,33-,34-,35-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity against mu opioid receptor in guinea-pig ileum assay

Bioorg Med Chem Lett 16: 4331-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.053
BindingDB Entry DOI: 10.7270/Q2028R47
More data for this
Ligand-Target Pair