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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 = 'BDBM50037081'   
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


(Rattus norvegicus (rat))		BDBM50037081
PNG
(CHEMBL3355779)
Show SMILES [H][C@]12CC[C@@]([H])(CC1)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C2)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r,wU:43.47,38.43,27.29,16.17,1.0,wD:12.57,4.4,(8.11,-15.49,;9.74,-14.55,;9.73,-16.09,;11.06,-16.86,;12.4,-16.1,;11.46,-17.73,;12.4,-14.56,;11.07,-13.78,;12.42,-19.28,;13.6,-18.35,;14.92,-19.15,;13.63,-16.81,;14.98,-16.07,;15.02,-14.53,;16.37,-13.79,;17.68,-14.58,;16.41,-12.24,;17.75,-11.49,;19.08,-12.28,;19.05,-13.82,;20.37,-14.61,;21.72,-13.86,;21.74,-12.31,;20.41,-11.53,;15.08,-11.47,;13.74,-12.24,;13.74,-13.78,;12.41,-11.47,;12.41,-9.93,;13.74,-9.16,;15.08,-9.94,;16.42,-9.16,;16.42,-7.62,;15.08,-6.85,;13.74,-7.62,;11.07,-12.24,;9.74,-11.47,;9.74,-9.93,;8.41,-12.24,;8.41,-13.78,;7.07,-11.47,;5.74,-12.24,;5.74,-13.78,;4.41,-11.47,;3.07,-12.24,;4.41,-9.93,;5.74,-9.16,;7.08,-9.94,;8.41,-9.16,;8.41,-7.62,;9.75,-6.85,;7.08,-6.85,;5.74,-7.62,;16.3,-16.87,;16.27,-18.41,;17.65,-16.12,)|
Show InChI InChI=1S/C40H49N7O7/c41-30(19-26-13-17-29(48)18-14-26)37(51)45-32-22-27-11-15-28(16-12-27)43-35(49)23-31(36(42)50)44-38(52)33(20-24-7-3-1-4-8-24)46-40(54)34(47-39(32)53)21-25-9-5-2-6-10-25/h1-10,13-14,17-18,27-28,30-34,48H,11-12,15-16,19-23,41H2,(H2,42,50)(H,43,49)(H,44,52)(H,45,51)(H,46,54)(H,47,53)/t27-,28?,30-,31-,32+,33-,34-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain membranes by liquid scintillation counting method

Bioorg Med Chem 22: 6545-51 (2015)


Article DOI: 10.1016/j.bmc.2014.10.022
BindingDB Entry DOI: 10.7270/Q2HT2QZJ
More data for this
Ligand-Target Pair