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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 = 'BDBM50001712'   
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)		BDBM50001712
PNG
(CHEMBL143416 | methyl 2-[4-cyclopropylmethyl-17-hy...)
Show SMILES COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OCC(=C)C(=O)OC)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C30H37NO8/c1-17(27(32)35-3)15-37-21-8-7-20-13-23-30(34)10-9-22(38-16-18(2)28(33)36-4)26-29(30,24(20)25(21)39-26)11-12-31(23)14-19-5-6-19/h7-8,19,22-23,26,34H,1-2,5-6,9-16H2,3-4H3/t22-,23-,26+,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.80n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membrane

J Med Chem 35: 4589-94 (1993)


BindingDB Entry DOI: 10.7270/Q27S7PCK
More data for this
Ligand-Target Pair