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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50033642'   
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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50033642
PNG
(1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O |w:26.31,c:22,TLB:22:21:16.5.6:8.11.10,THB:9:8:21:16.5.6,15:16:21:8.11.10|
Show InChI InChI=1S/C27H25N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-12,21,25H,13-15H2,1-2H3,(H,28,32)/t21?,25-,26?,27+/m0/s1
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PubMed
n/an/a 46n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor from calf frontal cortex.

J Med Chem 36: 3154-60 (1993)


BindingDB Entry DOI: 10.7270/Q2K64H31
More data for this
Ligand-Target Pair