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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 = 'BDBM50281658'   
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))		BDBM50281658
PNG
(CHEMBL385504 | cyclodextrin analogue of cyclic [p-...)
Show SMILES COCC1O[C@@H]2O[C@@H]3C(CNC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(I)cc5)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)C(C)(C)SSC4(C)C)O[C@H](O[C@@H]4C(COC)O[C@H](O[C@@H]5C(COC)O[C@H](O[C@@H]6C(COC)O[C@H](O[C@@H]7C(COC)O[C@@H](O[C@@H]8C(COC)O[C@H](O[C@H]1C(OC)C2OC)C(OC)C8OC)C(OC)C7OC)C(OC)C6OC)C(OC)C5OC)C(OC)C4OC)C(OC)C3OC
Show InChI InChI=1S/C92H147IN6O40S2/c1-91(2)78(98-80(102)47(94)33-43-27-31-46(100)32-28-43)83(105)96-36-56(101)97-48(34-44-25-29-45(93)30-26-44)81(103)99-79(92(3,4)141-140-91)82(104)95-35-49-57-64(112-11)71(119-18)84(126-49)134-58-50(37-106-5)128-86(73(121-20)65(58)113-12)136-60-52(39-108-7)130-88(75(123-22)67(60)115-14)138-62-54(41-110-9)132-90(77(125-24)69(62)117-16)139-63-55(42-111-10)131-89(76(124-23)70(63)118-17)137-61-53(40-109-8)129-87(74(122-21)68(61)116-15)135-59-51(38-107-6)127-85(133-57)72(120-19)66(59)114-13/h25-32,47-55,57-79,84-90,100H,33-42,94H2,1-24H3,(H,95,104)(H,96,105)(H,97,101)(H,98,102)(H,99,103)/t47-,48+,49?,50?,51?,52?,53?,54?,55?,57+,58+,59+,60+,61+,62+,63+,64?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,77?,78-,79+,84+,85+,86+,87+,88+,89-,90+/m0/s1
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Similars
Article
n/an/a 145n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates by displacement of [3H]-p-Cl-DPDPE

Bioorg Med Chem Lett 3: 831-834 (1993)


Article DOI: 10.1016/S0960-894X(00)80675-7
BindingDB Entry DOI: 10.7270/Q2XK8FGJ
More data for this
Ligand-Target Pair